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Emad Tajkhorshid - Publications

Affiliations: 
University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
Area:
General Biophysics
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356 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Roy P, Maturano J, Hasdemir H, Lopez A, Xu F, Hellman J, Tajkhorshid E, Sarlah D, Das A. Elucidating the Mechanism of Metabolism of Cannabichromene by Human Cytochrome P450s. Journal of Natural Products. PMID 38477310 DOI: 10.1021/acs.jnatprod.3c00336  0.414
2024 Radka CD, Grace CR, Hasdemir HS, Li Y, Rodriguez CC, Rodrigues P, Oldham ML, Qayyum MZ, Pitre A, MacCain WJ, Kalathur RC, Tajkhorshid E, Rock CO. The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer. The Journal of Biological Chemistry. 105627. PMID 38211817 DOI: 10.1016/j.jbc.2024.105627  0.312
2023 Blazhynska M, Gumbart JC, Chen H, Tajkhorshid E, Roux B, Chipot C. A Rigorous Framework for Calculating Protein-Protein Binding Affinities in Membranes. Journal of Chemical Theory and Computation. 19: 9077-9092. PMID 38091976 DOI: 10.1021/acs.jctc.3c00941  0.337
2023 Arango AS, Park H, Tajkhorshid E. Topological Learning Approach to Characterizing Biological Membranes. Biorxiv : the Preprint Server For Biology. PMID 38076911 DOI: 10.1101/2023.11.28.569053  0.32
2023 Zhang Y, Soubias O, Pant S, Heinrich F, Vogel A, Li J, Li Y, Clifton LA, Daum S, Bacia K, Huster D, Randazzo PA, Lösche M, Tajkhorshid E, Byrd RA. Myr-Arf1 conformational flexibility at the membrane surface sheds light on the interactions with ArfGAP ASAP1. Nature Communications. 14: 7570. PMID 37989735 DOI: 10.1038/s41467-023-43008-5  0.797
2023 Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS. Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter. Nature Communications. 14: 7184. PMID 37938578 DOI: 10.1038/s41467-023-42937-5  0.315
2023 Tang Q, Sinclair M, Hasdemir H, Stein R, Karakas E, Tajkhorshid E, Mchaourab H. Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter. Biorxiv : the Preprint Server For Biology. PMID 37398337 DOI: 10.1101/2023.05.29.541986  0.307
2023 Li Y, Acharya A, Yang L, Liu J, Tajkhorshid E, Zgurskaya HI, Jackson M, Gumbart JC. Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3. Biophysical Journal. PMID 36926696 DOI: 10.1016/j.bpj.2023.03.018  0.386
2022 Rasouli A, Yu Q, Dehghani-Ghahnaviyeh S, Wen PC, Kowal J, Locher KP, Tajkhorshid E. Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2. Proceedings of the National Academy of Sciences of the United States of America. 120: e2213437120. PMID 36580587 DOI: 10.1073/pnas.2213437120  0.388
2022 Le LTM, Thompson JR, Dehghani-Ghahnaviyeh S, Pant S, Dang PX, French JB, Kanikeyo T, Tajkhorshid E, Alam A. Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms. The Embo Journal. e111065. PMID 36484366 DOI: 10.15252/embj.2022111065  0.793
2022 Dehghani-Ghahnaviyeh S, Zhao Z, Tajkhorshid E. Lipid-mediated prestin organization in outer hair cell membranes and its implications in sound amplification. Nature Communications. 13: 6877. PMID 36371434 DOI: 10.1038/s41467-022-34596-9  0.37
2022 Singaram I, Sharma A, Pant S, Lihan M, Park MJ, Pergande M, Buwaneka P, Hu Y, Mahmud N, Kim YM, Cologna S, Gevorgyan V, Khan I, Tajkhorshid E, Cho W. Targeting lipid-protein interaction to treat Syk-mediated acute myeloid leukemia. Nature Chemical Biology. PMID 36229686 DOI: 10.1038/s41589-022-01150-z  0.745
2022 Dastvan R, Rasouli A, Dehghani-Ghahnaviyeh S, Gies S, Tajkhorshid E. Proton-driven alternating access in a spinster lipid transporter. Nature Communications. 13: 5161. PMID 36055994 DOI: 10.1038/s41467-022-32759-2  0.347
2022 Muller MP, Morrissey JH, Tajkhorshid E. Molecular View into Preferential Binding of the Factor VII Gla Domain to Phosphatidic Acid. Biochemistry. PMID 35853076 DOI: 10.1021/acs.biochem.2c00266  0.373
2022 Kapoor K, Chen T, Tajkhorshid E. Posttranslational modifications optimize the ability of SARS-CoV-2 spike for effective interaction with host cell receptors. Proceedings of the National Academy of Sciences of the United States of America. 119: e2119761119. PMID 35737823 DOI: 10.1073/pnas.2119761119  0.304
2022 Pant S, Wu Q, Ryan R, Tajkhorshid E. Microscopic Characterization of the Chloride Permeation Pathway in the Human Excitatory Amino Acid Transporter 1 (EAAT1). Acs Chemical Neuroscience. 13: 776-785. PMID 35192345 DOI: 10.1021/acschemneuro.1c00769  0.755
2022 Wu Q, Akhter A, Pant S, Cho E, Zhu JX, Garner AR, Ohyama T, Tajkhorshid E, van Meyel DJ, Ryan RM. Ataxia-linked SLC1A3 mutations alter EAAT1 chloride channel activity and glial regulation of CNS function. The Journal of Clinical Investigation. PMID 35167492 DOI: 10.1172/JCI154891  0.721
2022 Chen H, Ogden D, Pant S, Cai W, Tajkhorshid E, Moradi M, Roux B, Chipot C. A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls. Journal of Chemical Theory and Computation. PMID 35138832 DOI: 10.1021/acs.jctc.1c01049  0.721
2022 Gullett JM, Cuypers MG, Grace CR, Pant S, Subramanian C, Tajkhorshid E, Rock CO, White SW. Identification of Structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes. The Journal of Biological Chemistry. 101676. PMID 35122790 DOI: 10.1016/j.jbc.2022.101676  0.804
2022 Licari G, Dehghani-Ghahnaviyeh S, Tajkhorshid E. Membrane Mixer: A Toolkit for Efficient Shuffling of Lipids in Heterogeneous Biological Membranes. Journal of Chemical Information and Modeling. 62: 986-996. PMID 35104125 DOI: 10.1021/acs.jcim.1c01388  0.368
2022 Kim JS, Arango AS, Shah S, Arnold WR, Tajkhorshid E, Das A. Anthracycline derivatives inhibit cardiac CYP2J2. Journal of Inorganic Biochemistry. 229: 111722. PMID 35078036 DOI: 10.1016/j.jinorgbio.2022.111722  0.447
2022 Chan CK, Singharoy A, Tajkhorshid E. Anionic Lipids Confine Cytochrome to the Surface of Bioenergetic Membranes without Compromising Its Interaction with Redox Partners. Biochemistry. PMID 35025510 DOI: 10.1021/acs.biochem.1c00696  0.395
2021 Vermaas JV, Mayne CG, Shinn E, Tajkhorshid E. Assembly and Analysis of Cell-Scale Membrane Envelopes. Journal of Chemical Information and Modeling. PMID 34910495 DOI: 10.1021/acs.jcim.1c01050  0.732
2021 Pant S, Zhang J, Kim EC, Lam K, Chung HJ, Tajkhorshid E. PIP-dependent coupling of voltage sensor and pore domains in K7.2 channel. Communications Biology. 4: 1189. PMID 34650221 DOI: 10.1038/s42003-021-02729-3  0.754
2021 Huff HC, Vasan A, Roy P, Kaul A, Tajkhorshid E, Das A. Differential Interactions of Selected Phytocannabinoids with Human CYP2D6 Polymorphisms. Biochemistry. PMID 34491040 DOI: 10.1021/acs.biochem.1c00158  0.413
2021 Ge J, Elferich J, Dehghani-Ghahnaviyeh S, Zhao Z, Meadows M, von Gersdorff H, Tajkhorshid E, Gouaux E. Molecular mechanism of prestin electromotive signal amplification. Cell. PMID 34390643 DOI: 10.1016/j.cell.2021.07.034  0.373
2021 Kapoor K, Pant S, Tajkhorshid E. Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein. Chemical Science. 12: 6293-6306. PMID 34084427 DOI: 10.1039/d0sc06288j  0.803
2021 Haloi N, Wen PC, Cheng Q, Yang M, Natarajan G, Camara AKS, Kwok WM, Tajkhorshid E. Structural basis of complex formation between mitochondrial anion channel VDAC1 and Hexokinase-II. Communications Biology. 4: 667. PMID 34083717 DOI: 10.1038/s42003-021-02205-y  0.357
2021 Infield DT, Rasouli A, Galles GD, Chipot C, Tajkhorshid E, Ahern CA. Cation-π interactions and their functional roles in membrane proteins. Journal of Molecular Biology. 167035. PMID 33957146 DOI: 10.1016/j.jmb.2021.167035  0.337
2021 Gorgun D, Lihan M, Kapoor K, Tajkhorshid E. Binding Mode of SARS-CoV2 Fusion Peptide to Human Cellular Membrane. Biophysical Journal. PMID 33675757 DOI: 10.1016/j.bpj.2021.02.041  0.365
2021 Michenkova M, Taki S, Blosser MC, Hwang HJ, Kowatz T, Moss FJ, Occhipinti R, Qin X, Sen S, Shinn E, Wang D, Zeise BS, Zhao P, Malmstadt N, Vahedi-Faridi A, ... Tajkhorshid E, et al. Carbon dioxide transport across membranes. Interface Focus. 11: 20200090. PMID 33633837 DOI: 10.1098/rsfs.2020.0090  0.303
2021 Chen I, Pant S, Wu Q, Cater RJ, Sobti M, Vandenberg RJ, Stewart AG, Tajkhorshid E, Font J, Ryan RM. Glutamate transporters have a chloride channel with two hydrophobic gates. Nature. PMID 33597752 DOI: 10.1038/s41586-021-03240-9  0.752
2021 Rasouli A, Jamali Y, Tajkhorshid E, Bavi O, Pishkenari HN. Mechanical properties of ester- and ether-DPhPC bilayers: A molecular dynamics study. Journal of the Mechanical Behavior of Biomedical Materials. 117: 104386. PMID 33588213 DOI: 10.1016/j.jmbbm.2021.104386  0.317
2021 Arnold WR, Carnevale LN, Xie Z, Baylon JL, Tajkhorshid E, Hu H, Das A. Anti-inflammatory dopamine- and serotonin-based endocannabinoid epoxides reciprocally regulate cannabinoid receptors and the TRPV1 channel. Nature Communications. 12: 926. PMID 33568652 DOI: 10.1038/s41467-021-20946-6  0.396
2020 Pant S, Smith Z, Wang Y, Tajkhorshid E, Tiwary P. Confronting pitfalls of AI-augmented molecular dynamics using statistical physics. The Journal of Chemical Physics. 153: 234118. PMID 33353347 DOI: 10.1063/5.0030931  0.761
2020 Jia R, Martens C, Shekhar M, Pant S, Pellowe GA, Lau AM, Findlay HE, Harris NJ, Tajkhorshid E, Booth PJ, Politis A. Hydrogen-deuterium exchange mass spectrometry captures distinct dynamics upon substrate and inhibitor binding to a transporter. Nature Communications. 11: 6162. PMID 33268777 DOI: 10.1038/s41467-020-20032-3  0.768
2020 Soubias O, Pant S, Heinrich F, Zhang Y, Roy NS, Li J, Jian X, Yohe ME, Randazzo PA, Lösche M, Tajkhorshid E, Byrd RA. Membrane surface recognition by the ASAP1 PH domain and consequences for interactions with the small GTPase Arf1. Science Advances. 6. PMID 32998886 DOI: 10.1126/sciadv.abd1882  0.774
2020 Sauer DB, Trebesch N, Marden JJ, Cocco N, Song J, Koide A, Koide S, Tajkhorshid E, Wang DN. Structural basis for the reaction cycle of DASS dicarboxylate transporters. Elife. 9. PMID 32869741 DOI: 10.7554/Elife.61350  0.414
2020 Licari G, Strakova K, Matile S, Tajkhorshid E. Twisting and tilting of a mechanosensitive molecular probe detects order in membranes. Chemical Science. 11: 5637-5649. PMID 32864081 DOI: 10.1039/D0Sc02175J  0.466
2020 Phillips JC, Hardy DJ, Maia JDC, Stone JE, Ribeiro JV, Bernardi RC, Buch R, Fiorin G, Hénin J, Jiang W, McGreevy R, Melo MCR, Radak BK, Skeel RD, Singharoy A, ... ... Tajkhorshid E, et al. Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153: 044130. PMID 32752662 DOI: 10.1063/5.0014475  0.662
2020 Moss FJ, Mahinthichaichan P, Lodowski DT, Kowatz T, Tajkhorshid E, Engel A, Boron WF, Vahedi-Faridi A. Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF. Frontiers in Physiology. 11: 728. PMID 32695023 DOI: 10.3389/Fphys.2020.00728  0.36
2020 Ciudad S, Puig E, Botzanowski T, Meigooni M, Arango AS, Do J, Mayzel M, Bayoumi M, Chaignepain S, Maglia G, Cianferani S, Orekhov V, Tajkhorshid E, Bardiaux B, Carulla N. Aβ(1-42) tetramer and octamer structures reveal edge conductivity pores as a mechanism for membrane damage. Nature Communications. 11: 3014. PMID 32541820 DOI: 10.1038/S41467-020-16566-1  0.405
2020 Lam K, Tajkhorshid E. Membrane Interactions of Cy3 and Cy5 Fluorophores and Their Effects on Membrane-Protein Dynamics. Biophysical Journal. PMID 32533943 DOI: 10.1016/J.Bpj.2020.05.027  0.521
2020 Chavan TS, Cheng RC, Jiang T, Mathews II, Stein RA, Koehl A, Mchaourab HS, Tajkhorshid E, Maduke M. A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the Cl/H transport cycle. Elife. 9. PMID 32310757 DOI: 10.7554/Elife.53479  0.37
2020 Zhang J, Kim EC, Chen C, Procko E, Pant S, Lam K, Patel J, Choi R, Hong M, Joshi D, Bolton E, Tajkhorshid E, Chung HJ. Identifying mutation hotspots reveals pathogenetic mechanisms of KCNQ2 epileptic encephalopathy. Scientific Reports. 10: 4756. PMID 32179837 DOI: 10.1038/S41598-020-61697-6  0.758
2020 Shahoei R, Tajkhorshid E. Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor, Facilitated by Its Strong Partitioning in Membrane. The Journal of Physical Chemistry. B. PMID 32048843 DOI: 10.1021/Acs.Jpcb.9B10092  0.459
2020 Kumar P, Wang Y, Zhang Z, Zhao Z, Cymes GD, Tajkhorshid E, Grosman C. Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer. Proceedings of the National Academy of Sciences of the United States of America. PMID 31911476 DOI: 10.1073/Pnas.1906823117  0.445
2020 Trebesch N, Tajkhorshid E. Embracing Biological Complexity in Atomistic Simulations of Cellular Membranes Biophysical Journal. 118: 88a. DOI: 10.1016/J.Bpj.2019.11.645  0.434
2020 Arango AS, Yadav A, Reinhardt CJ, Huff HC, Dong L, Das A, Malkowski MG, Chan J, Tajkhorshid E. Two Step Mechanism of an Activity-Based Fluorescent Probe for Cyclooxygenase-2 Biophysical Journal. 118: 47a. DOI: 10.1016/J.Bpj.2019.11.436  0.429
2020 Rasouli A, Kapoor K, Wen P, Tajkhorshid E. Evidence for Direct Membrane Interaction and Cholesterol Sensing of A-Loop in ABC Transporter ABCG2 Biophysical Journal. 118: 527a. DOI: 10.1016/J.Bpj.2019.11.2894  0.425
2020 Haloi N, Wen P, Cheng Q, Yang M, Camara AK, Kwok W, Tajkhorshid E. Peripheral Binding of Hexokinase-2 to the Rim of VDAC1 Mediated by the Mitochondrial Outer Membrane Biophysical Journal. 118: 448a-449a. DOI: 10.1016/J.Bpj.2019.11.2505  0.385
2020 Chavan T, Cheng R, Jiang T, Mathews II, Stein RA, Koehl A, Krishnamoorti A, Durham RJ, Berka V, Mchaourab H, Tajkhorshid E, Jayaraman V, Maduke M. Investigating Conformational Changes to Understand the Transport Mechanism of CLC Chloride/Proton Antiporters Biophysical Journal. 118: 443a. DOI: 10.1016/J.Bpj.2019.11.2481  0.332
2020 Soubias O, Heinrich F, Pant S, Zhang Y, Randazzo P, Losche M, Tajkhorshid E, Byrd RA. Probing the Interactions between the Small GTPase Arf1 and its Arf GAP ASAP1 at the Membrane Interface Biophysical Journal. 118: 393a-394a. DOI: 10.1016/J.Bpj.2019.11.2239  0.404
2020 Pant S, Zhang J, Chang Kim E, Lam K, Jung Chung H, Tajkhorshid E. Anionic Lipids Modulate Structure and Function of Epilepsy-Causing Voltage-Gated Potassium Channel Biophysical Journal. 118: 333a. DOI: 10.1016/J.Bpj.2019.11.1859  0.312
2020 Meigooni M, Tajkhorshid E. A Semi-supervised Learning Approach for Calculation of Membrane Curvature Properties, with Application to Mitochondrial Model Membranes Biophysical Journal. 118: 185a-186a. DOI: 10.1016/J.Bpj.2019.11.1130  0.375
2020 Chan CK, Singharoy A, Tajkhorshid E. Anionic Lipids Confine Cytochrome c2 to the Vicinity of Bioenergetic Membranes without Compromising its Interaction with Membrane-Embedded Redox Partners Biophysical Journal. 118: 184a. DOI: 10.1016/J.Bpj.2019.11.1122  0.449
2019 Li J, Zhao Z, Tajkhorshid E. Locking Two Rigid-body Bundles in an Outward-Facing Conformation: The Ion-coupling Mechanism in a LeuT-fold Transporter. Scientific Reports. 9: 19479. PMID 31862903 DOI: 10.1038/S41598-019-55722-6  0.403
2019 Yadav AK, Reinhardt CJ, Arango AS, Huff HC, Dong L, Malkowski MG, Das A, Tajkhorshid E, Chan J. An Activity-based Sensing Approach for the Detection of Cyclooxygenase-2 in Live Cells. Angewandte Chemie (International Ed. in English). PMID 31854058 DOI: 10.1002/Anie.201914845  0.467
2019 Jiang T, Wen PC, Trebesch N, Zhao Z, Pant S, Kapoor K, Shekhar M, Tajkhorshid E. Computational Dissection of Membrane Transport at a Microscopic Level. Trends in Biochemical Sciences. PMID 31813734 DOI: 10.1016/J.Tibs.2019.09.001  0.81
2019 Berman HM, Adams PD, Bonvin AA, Burley SK, Carragher B, Chiu W, DiMaio F, Ferrin TE, Gabanyi MJ, Goddard TD, Griffin PR, Haas J, Hanke CA, Hoch JC, Hummer G, ... ... Tajkhorshid E, et al. Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. Structure (London, England : 1993). PMID 31780431 DOI: 10.1016/J.Str.2019.11.002  0.371
2019 Pant S, Tajkhorshid E. Microscopic Characterization of GRP1 PH Domain Interaction with Anionic Membranes. Journal of Computational Chemistry. PMID 31762060 DOI: 10.1002/Jcc.26109  0.823
2019 Singharoy A, Maffeo C, Delgado-Magnero KH, Swainsbury DJK, Sener M, Kleinekathöfer U, Vant JW, Nguyen J, Hitchcock A, Isralewitz B, Teo I, Chandler DE, Stone JE, Phillips JC, Pogorelov TV, ... ... Tajkhorshid E, et al. Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism. Cell. 179: 1098-1111.e23. PMID 31730852 DOI: 10.1016/J.Cell.2019.10.021  0.793
2019 Thangapandian S, Kapoor K, Tajkhorshid E. Probing cholesterol binding and translocation in P-glycoprotein. Biochimica Et Biophysica Acta. Biomembranes. 183090. PMID 31676371 DOI: 10.1016/J.Bbamem.2019.183090  0.444
2019 Terekhova K, Pokutta S, Kee YS, Li J, Tajkhorshid E, Fuller G, Dunn AR, Weis WI. Binding partner- and force-promoted changes in αE-catenin conformation probed by native cysteine labeling. Scientific Reports. 9: 15375. PMID 31653927 DOI: 10.1038/S41598-019-51816-3  0.314
2019 Martens C, Shekhar M, Lau AM, Tajkhorshid E, Politis A. Integrating hydrogen-deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteins. Nature Protocols. PMID 31605097 DOI: 10.1038/S41596-019-0219-6  0.499
2019 Yu K, Jiang T, Cui Y, Tajkhorshid E, Hartzell HC. A network of phosphatidylinositol 4,5-bisphosphate binding sites regulates gating of the Ca-activated Cl channel ANO1 (TMEM16A). Proceedings of the National Academy of Sciences of the United States of America. PMID 31515451 DOI: 10.1073/Pnas.1904012116  0.38
2019 Sparks RP, Arango AS, Starr ML, Aboff ZL, Hurst LR, Rivera-Kohr DA, Zhang C, Harden KA, Jenkins JL, Guida WC, Tajkhorshid E, Fratti RA. A small-molecule competitive inhibitor of phosphatidic acid binding by the AAA+ protein NSF/Sec18 blocks the SNARE-priming stage of vacuole fusion. The Journal of Biological Chemistry. PMID 31515268 DOI: 10.1074/Jbc.Ra119.008865  0.429
2019 Padayatti PS, Lee SC, Stanfield RL, Wen PC, Tajkhorshid E, Wilson IA, Zhang Q. Structural Insights into the Lipid A Transport Pathway in MsbA. Structure (London, England : 1993). PMID 31130486 DOI: 10.1016/J.Str.2019.04.007  0.443
2019 Coleman JA, Yang D, Zhao Z, Wen PC, Yoshioka C, Tajkhorshid E, Gouaux E. Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature. PMID 31019304 DOI: 10.1038/S41586-019-1135-1  0.367
2019 Misra SK, Wu Z, Ostadhossein F, Ye M, Boateng K, Schulten K, Tajkhorshid E, Pan D. Pro-nifuroxazide Self-Assembly Leads to Triggerable Nanomedicine for Anti-Cancer Therapy. Acs Applied Materials & Interfaces. PMID 31013055 DOI: 10.1021/Acsami.9B01343  0.445
2019 Muller MP, Jiang T, Sun C, Lihan M, Pant S, Mahinthichaichan P, Trifan A, Tajkhorshid E. Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation. Chemical Reviews. PMID 30978005 DOI: 10.1021/Acs.Chemrev.8B00608  0.82
2019 Denisov IG, Grinkova YV, Nandigrami P, Shekhar M, Tajkhorshid E, Sligar SG. Allosteric Interactions in Human Cytochrome P450 CYP3A4: The Role of Phenylalanine 213. Biochemistry. PMID 30785734 DOI: 10.1021/Acs.Biochem.8B01268  0.351
2019 Starr ML, Sparks RP, Arango AS, Hurst LR, Zhao Z, Lihan M, Jenkins JL, Tajkhorshid E, Fratti RA. Phosphatidic acid induces conformational changes in Sec18 protomers that prevent SNARE priming. The Journal of Biological Chemistry. PMID 30617180 DOI: 10.1074/Jbc.Ra118.006552  0.453
2019 Tajkhorshid E. High-Resolution Modeling and Simulation of Cellular Structures and Processes, One Atom at a Time Biophysical Journal. 116: 150a. DOI: 10.1016/J.Bpj.2018.11.832  0.305
2019 Wen P, Padayatti P, Zhang Q, Tajkhorshid E. Spontaneous Phospholipid Binding to the Bacterial Flippase MsbA Biophysical Journal. 116: 127a. DOI: 10.1016/J.Bpj.2018.11.705  0.301
2019 Kapoor K, Pant S, Tajkhorshid E. Lipid-Mediated Inhibition Mechanism of P-Glycoprotein Biophysical Journal. 116: 126a. DOI: 10.1016/J.Bpj.2018.11.702  0.309
2019 Lihan M, Tajkhorshid E. A Cartographic View of Membrane Targeting and Association of the C2 Domain from Protein Kinase C Biophysical Journal. 116: 518a. DOI: 10.1016/J.Bpj.2018.11.2796  0.34
2019 Mahinthichaichan P, Tajkhorshid E. Microscopic Insights into Biological Relevance of Membrane Channels in Gas Transport across Lipid Membranes Biophysical Journal. 116: 509a. DOI: 10.1016/J.Bpj.2018.11.2744  0.451
2019 Chan A, Tajkhorshid E. Anionic Lipid-Dependent Gliding of Cytochrome C across Bioenergetic Membranes Biophysical Journal. 116: 417a. DOI: 10.1016/J.Bpj.2018.11.2249  0.423
2019 Trifan A, Tajkhorshid E. Structural Factors Controlling Orientation of KRAS G-Domain Membrane Binding Biophysical Journal. 116: 373a. DOI: 10.1016/J.Bpj.2018.11.2027  0.385
2019 Perez A, Shekhar M, Terashi G, Kihara D, Dill KA, Tajkhorshid E, Singharoy A. MAINMAST-MELD-MDFF: Denovo Structure-Determination with Data-Guided Molecular Dynamics Biophysical Journal. 116: 287a-288a. DOI: 10.1016/J.Bpj.2018.11.1553  0.308
2019 Trebesch N, Tajkhorshid E. Incorporating Proteins into Geometrically Complex, Cell-Scale Membrane Models for Molecular Dynamics Simulations Biophysical Journal. 116: 287a. DOI: 10.1016/J.Bpj.2018.11.1551  0.442
2019 Licari G, Tajkhorshid E. Twisting of a Mechanosensitive Molecular Probe Detects Lipid Order in Membranes Biophysical Journal. 116: 19a-20a. DOI: 10.1016/J.Bpj.2018.11.147  0.417
2019 Haloi N, Wen P, Camara AK, Kwok W, Tajkhorshid E. Modeling the Insertion of Hexokinase in the Mitochondrial Outer Membrane and its Complex Formation with VDAC Biophysical Journal. 116: 267a-268a. DOI: 10.1016/J.Bpj.2018.11.1451  0.352
2019 Arango AS, Sparks RP, Starr ML, Zhao Z, Lihan M, Fratti R, Tajkhorshid E. Snare Priming Inhibition via Phosphatidic Acid Induced Sec18 Conformational Changes and Competitive Small Molecule Binding to Sec18 Biophysical Journal. 116: 229a. DOI: 10.1016/J.Bpj.2018.11.1258  0.305
2019 Meigooni M, Tajkhorshid E. Driving Spontaneous Membrane Curvature by Tuning Cardiolipin Concentration and Spatial Distribution in Model Mitochondrial Membranes Biophysical Journal. 116: 224a. DOI: 10.1016/J.Bpj.2018.11.1235  0.375
2019 Shinn E, Tajkhorshid E. Inducing Chemical Concentration Gradients to Investigate Gas Permeability of Rh-Protein Containing Membranes Biophysical Journal. 116: 221a. DOI: 10.1016/J.Bpj.2018.11.1220  0.367
2018 Infield DT, Matulef K, Galpin JD, Lam K, Tajkhorshid E, Ahern CA, Valiyaveetil FI. Main-chain mutagenesis reveals intrahelical coupling in an ion channel voltage-sensor. Nature Communications. 9: 5055. PMID 30498243 DOI: 10.1038/S41467-018-07477-3  0.344
2018 Hallock MJ, Greenwood AI, Wang Y, Morrissey JH, Tajkhorshid E, Rienstra CM, Pogorelov TV. Calcium-induced lipid nanocluster structures: sculpturing of the plasma membrane. Biochemistry. PMID 30456950 DOI: 10.1021/Acs.Biochem.8B01069  0.734
2018 Martens C, Shekhar M, Borysik AJ, Lau AM, Reading E, Tajkhorshid E, Booth PJ, Politis A. Direct protein-lipid interactions shape the conformational landscape of secondary transporters. Nature Communications. 9: 4151. PMID 30297844 DOI: 10.1016/J.Bpj.2018.11.2987  0.473
2018 Carnevale L, Arango A, Arnold WR, Tajkhorshid E, Das A. Endocannabinoid Virodhamine is an Endogenous Inhibitor of Human Cardiovascular CYP2J2 Epoxygenase. Biochemistry. PMID 30285425 DOI: 10.1021/Acs.Biochem.8B00691  0.452
2018 Wen PC, Vanegas JM, Rempe SB, Tajkhorshid E. Probing key elements of teixobactin-lipid II interactions in membranes. Chemical Science. 9: 6997-7008. PMID 30210775 DOI: 10.1039/C8Sc02616E  0.449
2018 Mahinthichaichan P, Morris DM, Wang Y, Jensen GJ, Tajkhorshid E. Selective Permeability of Carboxysome Shell Pores to Anionic Molecules. The Journal of Physical Chemistry. B. PMID 30193460 DOI: 10.1021/Acs.Jpcb.8B06822  0.361
2018 Wen PC, Mahinthichaichan P, Trebesch N, Jiang T, Zhao Z, Shinn E, Wang Y, Shekhar M, Kapoor K, Chan CK, Tajkhorshid E. Microscopic view of lipids and their diverse biological functions. Current Opinion in Structural Biology. 51: 177-186. PMID 30048836 DOI: 10.1016/J.Sbi.2018.07.003  0.475
2018 Vermaas JV, Rempe SB, Tajkhorshid E. Electrostatic lock in the transport cycle of the multidrug resistance transporter EmrE. Proceedings of the National Academy of Sciences of the United States of America. 115: E7502-E7511. PMID 30026196 DOI: 10.1073/pnas.1722399115  0.735
2018 Kerr D, Tietjen GT, Gong Z, Tajkhorshid E, Adams EJ, Lee KYC. Sensitivity of peripheral membrane proteins to the membrane context: A case study of phosphatidylserine and the TIM proteins. Biochimica Et Biophysica Acta. PMID 29920237 DOI: 10.1016/J.Bbamem.2018.06.010  0.456
2018 Mahinthichaichan P, Gennis RB, Tajkhorshid E. Bacterial denitrifying nitric oxide reductases and aerobic respiratory terminal oxidases use similar delivery pathways for their molecular substrates. Biochimica Et Biophysica Acta. PMID 29883591 DOI: 10.1016/J.Bbabio.2018.06.002  0.367
2018 Sun C, Benlekbir S, Venkatakrishnan P, Wang Y, Hong S, Hosler J, Tajkhorshid E, Rubinstein JL, Gennis RB. Structure of the alternative complex III in a supercomplex with cytochrome oxidase. Nature. PMID 29695868 DOI: 10.1038/s41586-018-0061-y  0.373
2018 Mahinthichaichan P, Gennis RB, Tajkhorshid E. Cytochrome aa3 oxygen reductase utilizes the tunnel observed in the crystal structures to deliver Ofor catalysis. Biochemistry. PMID 29546752 DOI: 10.1021/Acs.Biochem.7B01194  0.302
2018 Tajkhorshid E. Molecular insight into drug exporters within the cellular membrane. Pharmacological Research. 133: 328. PMID 29535020 DOI: 10.1016/J.Phrs.2018.03.008  0.4
2018 Scheurer M, Rodenkirch P, Siggel M, Bernardi RC, Schulten K, Tajkhorshid E, Rudack T. PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations. Biophysical Journal. 114: 577-583. PMID 29414703 DOI: 10.1016/J.Bpj.2017.12.003  0.508
2018 Raeisi Najafi A, Dastvan R, Mchaourab HS, Tajkhorshid E. Study of Conformational Transition of a Protein Secretion ABC Transporter using Molecular Dynamic Biophysical Journal. 114: 148a-149a. DOI: 10.1016/J.Bpj.2017.11.833  0.373
2018 Ribeiro JV, Bernardi RC, Rudack T, Schulten K, Tajkhorshid E. QwikMD - Gateway for Easy Simulation with VMD and NAMD Biophysical Journal. 114: 673a-674a. DOI: 10.1016/J.Bpj.2017.11.3632  0.461
2018 Trebesch N, Tajkhorshid E. Simulation of Geometrically Accurate, Multibillion Atom Cellular Membrane Structures Biophysical Journal. 114: 557a. DOI: 10.1016/J.Bpj.2017.11.3043  0.431
2018 Arango AS, Jiang T, Cheng R, Maduke M, Tajkhorshid E. Identification of Cardiolipin Binding Sites on Membrane Proteins using an Accelerated Computational Membrane Model Biophysical Journal. 114: 460a-461a. DOI: 10.1016/J.Bpj.2017.11.2542  0.446
2018 Wen P, Vanegas JM, Rempe SB, Tajkhorshid E. Exploring Conformations of the Teixobactin-Lipid II Complex in Membrane Biophysical Journal. 114: 456a. DOI: 10.1016/J.Bpj.2017.11.2519  0.409
2018 Muller M, Tajkhorshid E. Molecular Simulations Provide Insite on Lysine Snorkeling Modulation of the Integrin Transmembrane Domain Biophysical Journal. 114: 21a-22a. DOI: 10.1016/J.Bpj.2017.11.161  0.342
2018 Lam K, Tajkhorshid E. CY3/CY5 Fluorophore-Lipid Interactions and their Effects on Membrane Protein Dynamics Biophysical Journal. 114: 278a. DOI: 10.1016/J.Bpj.2017.11.1600  0.467
2018 Pant S, Tajkhorshid E. Understanding GRP1 PH Domain-Lipid Interaction using an Accelerated Membrane Modelunderstanding GRP1 PH Domain-Lipid Interaction Using an Accelerated Membrane Model Biophysical Journal. 114: 275a. DOI: 10.1016/J.Bpj.2017.11.1587  0.413
2018 Lihan M, Tajkhorshid E. Investigating Cholesterol Dynamics and Interactions with the Dopamine Transporter using a Membrane Mimetic Model Biophysical Journal. 114: 275a. DOI: 10.1016/J.Bpj.2017.11.1586  0.412
2018 Haloi N, Shekhar M, Drown BS, Hergenrother PJ, Tajkhorshid E. Antibiotic Permeation across the Bacterial Outer Membrane Porin Biophysical Journal. 114: 226a. DOI: 10.1016/J.Bpj.2017.11.1258  0.381
2017 Denisov IG, Baylon JL, Grinkova YV, Tajkhorshid E, Sligar SG. Drug-Drug Interactions between Atorvastatin and Dronedarone Mediated by Monomeric CYP3A4. Biochemistry. PMID 29200287 DOI: 10.1021/Acs.Biochem.7B01012  0.335
2017 Arnold WR, Baylon JL, Tajkhorshid E, Das A. Arachidonic Acid Metabolism by Human Cardiovascular CYP2J2 Is Modulated by Doxorubicin. Biochemistry. 56: 6700-6712. PMID 29200270 DOI: 10.1021/Acs.Biochem.7B01025  0.476
2017 Gonzalez-Gutierrez G, Wang Y, Cymes GD, Tajkhorshid E, Grosman C. Chasing the open-state structure of pentameric ligand-gated ion channels. The Journal of General Physiology. PMID 29089419 DOI: 10.1085/Jgp.201711803  0.329
2017 Tietjen GT, Baylon JL, Kerr D, Gong Z, Henderson JM, Heffern CTR, Meron M, Lin B, Schlossman ML, Adams EJ, Tajkhorshid E, Lee KYC. Coupling X-Ray Reflectivity and In Silico Binding to Yield Dynamics of Membrane Recognition by Tim1. Biophysical Journal. 113: 1505-1519. PMID 28978444 DOI: 10.1016/J.Bpj.2017.08.003  0.51
2017 Jiang T, Yu K, Hartzell HC, Tajkhorshid E. Lipids and ions traverse the membrane by the same physical pathway in the nhTMEM16 scramblase. Elife. 6. PMID 28917060 DOI: 10.7554/eLife.28671  0.474
2017 Muller MP, Wang Y, Morrissey JH, Tajkhorshid E. Lipid Specificity of the Membrane Binding Domain of Coagulation Factor X. Journal of Thrombosis and Haemostasis : Jth. PMID 28782177 DOI: 10.1111/Jth.13788  0.443
2017 Camara AKS, Zhou Y, Wen PC, Tajkhorshid E, Kwok WM. Mitochondrial VDAC1: A Key Gatekeeper as Potential Therapeutic Target. Frontiers in Physiology. 8: 460. PMID 28713289 DOI: 10.3389/Fphys.2017.00460  0.305
2017 Padayatti PS, Leung JH, Mahinthichaichan P, Tajkhorshid E, Ishchenko A, Cherezov V, Soltis SM, Jackson JB, Stout CD, Gennis RB, Zhang Q. Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase. Structure (London, England : 1993). PMID 28648609 DOI: 10.1016/J.Str.2017.05.022  0.436
2017 Yu X, Yang G, Yan C, Baylon JL, Jiang J, Fan H, Lu G, Hasegawa K, Okumura H, Wang T, Tajkhorshid E, Li S, Yan N. Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters. Cell Research. PMID 28621327 DOI: 10.1038/Cr.2017.83  0.344
2017 Arcario MJ, Mayne CG, Tajkhorshid E. A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus Ion Channel. The Journal of Biological Chemistry. PMID 28420728 DOI: 10.1074/Jbc.M117.780197  0.406
2017 Verhalen B, Dastvan R, Thangapandian S, Peskova Y, Koteiche HA, Nakamoto RK, Tajkhorshid E, Mchaourab HS. Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein. Nature. PMID 28289287 DOI: 10.1038/Nature21414  0.392
2017 Vermaas JV, Pogorelov TV, Tajkhorshid E. Extension of the Highly Mobile Membrane Mimetic to Transmembrane Systems through Customized in Silico Solvents. The Journal of Physical Chemistry. B. PMID 28241729 DOI: 10.1021/Acs.Jpcb.6B11378  0.828
2017 Weisz DA, Liu H, Zhang H, Thangapandian S, Tajkhorshid E, Gross ML, Pakrasi HB. Mass spectrometry-based cross-linking study shows that the Psb28 protein binds to cytochrome b559 in Photosystem II. Proceedings of the National Academy of Sciences of the United States of America. PMID 28193857 DOI: 10.1073/Pnas.1620360114  0.357
2017 Zeng F, Chen Y, Remis J, Shekhar M, Phillips JC, Tajkhorshid E, Jin H. Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome. Nature. PMID 28077875 DOI: 10.1038/Nature21053  0.329
2017 Vermaas JV, Tajkhorshid E. Differential Membrane Binding Mechanics of Synaptotagmin Isoforms Observed in Atomic Detail. Biochemistry. 56: 281-293. PMID 27997124 DOI: 10.1021/Acs.Biochem.6B00468  0.762
2017 Jiang T, Yu K, Hartzell HC, Tajkhorshid E. Author response: Lipids and ions traverse the membrane by the same physical pathway in the nhTMEM16 scramblase Elife. DOI: 10.7554/Elife.28671.035  0.378
2017 Zhao Z, Tajkhorshid E. Characterizing Outward- to Inward-Facing Transition Pathway of Dopamine Transporter Biophysical Journal. 112: 128a. DOI: 10.1016/J.Bpj.2016.11.713  0.435
2017 Muller M, Tajkhorshid E. Determinants of Lipid Specificity for the FVII Membrane Binding Domain Biophysical Journal. 112: 479a. DOI: 10.1016/J.Bpj.2016.11.2592  0.437
2017 Trebesch N, Tajkhorshid E. Atomistic Modeling of Organelle-Scale Membrane Structures of Arbitrary Size, Lipid Composition, and Geometric Complexity Biophysical Journal. 112: 468a. DOI: 10.1016/J.Bpj.2016.11.2510  0.392
2017 Wen P, Tajkhorshid E. Microscopic Characterization of Membrane Insertion and Dynamics of an Isoprenoid Lipid Biophysical Journal. 112: 468a. DOI: 10.1016/J.Bpj.2016.11.2509  0.42
2017 Hallock MJ, Greenwood A, Wang Y, Morrissey JH, Tajkhorshid E, Rienstra C, Pogorelov TV. Calcium-Induced Sculpturing of the Plasma Membrane: Lipid Microclusters Cast by Anionic Lipids Biophysical Journal. 112: 467a-468a. DOI: 10.1016/J.Bpj.2016.11.2508  0.737
2017 Kerr D, Gong Z, Tietjen G, Baylon J, Hwang L, Henderson JM, Lin B, Meron M, Bu W, Schlossman M, Tajkhorshid E, Adams E, Yee Lee K. Membrane Bound Structures of Peripheral Membrane Binding Proteins TIM3 and TIM1 Produced by Molecular Dynamics Informed Analysis of X-Ray Scattering Experiments Biophysical Journal. 112: 391a. DOI: 10.1016/J.Bpj.2016.11.2122  0.484
2017 Thangapandian S, Tajkhorshid E. Direct Observation of Unidirectional Cholesterol Flipping on the Surface of P-Glycoprotein Biophysical Journal. 112: 386a. DOI: 10.1016/J.Bpj.2016.11.2099  0.408
2017 Muller M, Tajkhorshid E. First Membrane-Bound, Atomic Level Structure of the Ternary Extrinsic Coagulation Complex Biophysical Journal. 112: 358a. DOI: 10.1016/J.Bpj.2016.11.1942  0.374
2017 Jiang T, Hartzell C, Tajkhorshid E. Identification of the Ion Conduction Pathway in a TMEM16 Scramblase Biophysical Journal. 112: 276a. DOI: 10.1016/J.Bpj.2016.11.1494  0.453
2017 Mahinthichaichan P, Morris D, Wang Y, Jensen GJ, Tajkhorshid E. Bacterial Carboxysome Shell Proteins are Selectively Permeable to Carbon Fixation Substrates Biophysical Journal. 112: 239a. DOI: 10.1016/J.Bpj.2016.11.1309  0.354
2017 Shekhar M, Tajkhorshid E. Lipid Protein Interaction Mediates Ion Transport in P2X Receptors Biophysical Journal. 112: 226a. DOI: 10.1016/J.Bpj.2016.11.1246  0.367
2016 Arnold WR, Baylon JL, Tajkhorshid E, Das A. Asymmetric Binding and Metabolism of Polyunsaturated Fatty Acids (PUFAs) by CYP2J2 Epoxygenase. Biochemistry. 55: 6969-6980. PMID 27992998 DOI: 10.1021/Acs.Biochem.6B01037  0.5
2016 Mansoor SE, Lü W, Oosterheert W, Shekhar M, Tajkhorshid E, Gouaux E. X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature. PMID 27626375 DOI: 10.1038/Nature19367  0.314
2016 Sun C, Taguchi AT, Vermaas JV, Beal NJ, O'Malley PJ, Tajkhorshid E, Gennis RB, Dikanov SA. Q-band ENDOR reveals out of plane hydrogen bonds stabilize an anionic ubisemiquinone in cytochrome bo3 from Escherichia coli. Biochemistry. PMID 27622672 DOI: 10.1021/Acs.Biochem.6B00669  0.643
2016 Singharoy A, Barragan AM, Thangapandian S, Tajkhorshid E, Schulten K. Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c2. Journal of the American Chemical Society. PMID 27508459 DOI: 10.1021/Jacs.6B01193  0.556
2016 Vermaas JV, Trebesch N, Mayne CG, Thangapandian S, Shekhar M, Mahinthichaichan P, Baylon JL, Jiang T, Wang Y, Muller MP, Shinn E, Zhao Z, Wen PC, Tajkhorshid E. Microscopic Characterization of Membrane Transporter Function by In Silico Modeling and Simulation. Methods in Enzymology. 578: 373-428. PMID 27497175 DOI: 10.1016/Bs.Mie.2016.05.042  0.496
2016 Vermaas JV, Hardy DJ, Stone JE, Tajkhorshid E, Kohlmeyer A. TopoGromacs: Automated Topology Conversion from CHARMM to Gromacs within VMD. Journal of Chemical Information and Modeling. PMID 27196035 DOI: 10.1021/Acs.Jcim.6B00103  0.702
2016 Mayne CG, Arcario MJ, Mahinthichaichan P, Baylon JL, Vermaas JV, Navidpour L, Wen PC, Thangapandian S, Tajkhorshid E. The Cellular Membrane as a Mediator for Small Molecule Interaction with Membrane Proteins. Biochimica Et Biophysica Acta. PMID 27163493 DOI: 10.1016/J.Bbamem.2016.04.016  0.758
2016 Skeby KK, Andersen OJ, Pogorelov TV, Tajkhorshid E, Schiøtt B. Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment - towards the Aggregation Prone Form. Biochemistry. PMID 26953503 DOI: 10.1021/Acs.Biochem.5B00507  0.73
2016 Baylon JL, Vermaas JV, Muller MP, Arcario MJ, Pogorelov TV, Tajkhorshid E. Atomic-Level Description of Protein-Lipid Interactions Using an Accelerated Membrane Model. Biochimica Et Biophysica Acta. PMID 26940626 DOI: 10.1016/J.Bbamem.2016.02.027  0.835
2016 Hosseinzadeh P, Mirts EN, Pfister TD, Gao YG, Mayne C, Robinson H, Tajkhorshid E, Lu Y. Enhancing Mn(II)-binding and manganese peroxidase activity in a designed cytochrome c peroxidase through fine-tuning secondary sphere interactions. Biochemistry. PMID 26885726 DOI: 10.1021/Acs.Biochem.5B01299  0.307
2016 Jiang T, Han W, Maduke M, Tajkhorshid E. Molecular Basis for Differential Anion Binding and Proton Coupling in the Cl(-)/H(+) Exchanger ClC-ec1. Journal of the American Chemical Society. PMID 26880377 DOI: 10.1021/Jacs.5B12062  0.389
2016 Mahinthichaichan P, Gennis RB, Tajkhorshid E. All the O2 consumed by Thermus thermophilus cytochrome ba3 is delivered to the active site through a long, open hydrophobic tunnel with entrances within the lipid bilayer. Biochemistry. PMID 26845082 DOI: 10.1021/Acs.Biochem.5B01255  0.373
2016 Khantwal CM, Abraham SJ, Han W, Jiang T, Chavan TS, Cheng RC, Elvington SM, Liu CW, Mathews II, Stein RA, Mchaourab HS, Tajkhorshid E, Maduke M. Revealing an outward-facing open conformational state in a CLC Cl(-)/H(+) exchange transporter. Elife. 5. PMID 26799336 DOI: 10.7554/Elife.11189  0.363
2016 Khantwal CM, Abraham SJ, Han W, Jiang T, Chavan TS, Cheng RC, Elvington SM, Liu CW, Mathews II, Stein RA, Mchaourab HS, Tajkhorshid E, Maduke M. Author response: Revealing an outward-facing open conformational state in a CLC Cl–/H+ exchange transporter Elife. DOI: 10.7554/Elife.11189.031  0.302
2016 Abraham SJ, Chavan T, Cheng RC, Fenollar-Ferrer C, Han W, Islam SM, Jiang T, Khantwal CM, Mathews II, Stein RA, Roux B, Forrest LR, Mchaourab HS, Tajkhorshid E, Maduke M. An Outward-Facing Open Conformational State in a CLC Transporter Biophysical Journal. 110: 178a. DOI: 10.1016/J.Bpj.2015.11.994  0.379
2016 Vermaas JV, Tajkhorshid E. Electrostatic Lock Controlling Structural Transition in the EmrE Polyaromatic Cation Transporter Biophysical Journal. 110: 628a. DOI: 10.1016/J.Bpj.2015.11.3365  0.452
2016 Trebesch N, Vermaas JV, Tajkhorshid E. A Molecular Dynamics Based Model of the Outward-Facing State and Transport Mechanism of the Human NaCT Homolog Vcindy Biophysical Journal. 110: 627a-628a. DOI: 10.1016/J.Bpj.2015.11.3363  0.409
2016 Muller MP, Tajkhorshid E. Molecular Basis for Lipid Specificity of the Coagulation Factor X Membrane-Binding Domain Biophysical Journal. 110: 424a. DOI: 10.1016/J.Bpj.2015.11.2291  0.505
2016 Wang Y, Singharoy A, Schulten K, Tajkhorshid E. Allosteric Regulation Mechanism of Trimeric Membrane Biophysical Journal. 110: 383a. DOI: 10.1016/J.Bpj.2015.11.2069  0.551
2016 Mahinthichaichan P, Gennis RB, Tajkhorshid E. Characterizations of Substrate Delivery Pathways in the Nitric Oxide Reductase Biophysical Journal. 110: 314a. DOI: 10.1016/J.Bpj.2015.11.1685  0.392
2016 Shekhar M, Baylon J, Tajkhorshid E. Structural Determinants of the IF-OF Transition in Human Glucose Transporter GLUT1 Biophysical Journal. 110: 245a. DOI: 10.1016/J.Bpj.2015.11.1349  0.351
2016 Jiang T, Thangapandian S, Tajkhorshid E. Functional Characterization of Calcium-activated Phospholipid Scramblase Activity of nhTMEM16 Biophysical Journal. 110: 179a-180a. DOI: 10.1016/J.Bpj.2015.11.1001  0.479
2015 Qi Y, Cheng X, Lee J, Vermaas JV, Pogorelov TV, Tajkhorshid E, Park S, Klauda JB, Im W. CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model. Biophysical Journal. 109: 2012-2022. PMID 26588561 DOI: 10.1016/J.Bpj.2015.10.008  0.827
2015 Moradi M, Enkavi G, Tajkhorshid E. Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter. Nature Communications. 6: 8393. PMID 26417850 DOI: 10.1038/Ncomms9393  0.414
2015 Madsen JJ, Ohkubo YZ, Peters GH, Faber JH, Tajkhorshid E, Olsen OH. Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail. Biochemistry. PMID 26346528 DOI: 10.1021/Acs.Biochem.5B00417  0.433
2015 McDougle DR, Baylon JL, Meling DD, Kambalyal A, Grinkova YV, Hammernik J, Tajkhorshid E, Das A. Incorporation of charged residues in the CYP2J2 F-G loop disrupts CYP2J2-lipid bilayer interactions. Biochimica Et Biophysica Acta. 1848: 2460-70. PMID 26232558 DOI: 10.1016/J.Bbamem.2015.07.015  0.606
2015 Li J, Newhall J, Ishiyama N, Gottardi C, Ikura M, Leckband DE, Tajkhorshid E. Structural Determinants of the Mechanical Stability of Alpha Catenin. The Journal of Biological Chemistry. PMID 26070562 DOI: 10.1074/Jbc.M115.647941  0.331
2015 Vermaas JV, Baylon JL, Arcario MJ, Muller MP, Wu Z, Pogorelov TV, Tajkhorshid E. Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution. The Journal of Membrane Biology. 248: 563-82. PMID 25998378 DOI: 10.1007/S00232-015-9806-9  0.84
2015 Baylon JL, Tajkhorshid E. Capturing Spontaneous Membrane Insertion of the Influenza Virus Hemagglutinin Fusion Peptide. The Journal of Physical Chemistry. B. 119: 7882-93. PMID 25996559 DOI: 10.1021/Acs.Jpcb.5B02135  0.472
2015 Li J, Wen PC, Moradi M, Tajkhorshid E. Computational characterization of structural dynamics underlying function in active membrane transporters. Current Opinion in Structural Biology. 31: 96-105. PMID 25913536 DOI: 10.1016/J.Sbi.2015.04.001  0.478
2015 Denisov IG, Grinkova YV, Baylon JL, Tajkhorshid E, Sligar SG. Mechanism of drug-drug interactions mediated by human cytochrome P450 CYP3A4 monomer. Biochemistry. 54: 2227-39. PMID 25777547 DOI: 10.1021/Acs.Biochem.5B00079  0.365
2015 Vermaas JV, Taguchi AT, Dikanov SA, Wraight CA, Tajkhorshid E. Redox potential tuning through differential quinone binding in the photosynthetic reaction center of Rhodobacter sphaeroides. Biochemistry. 54: 2104-16. PMID 25734689 DOI: 10.1021/Acs.Biochem.5B00033  0.696
2015 Moradi M, Enkavi G, Tajkhorshid E. Towards Thermodynamic Characterization of Transport Cycle in Secondary Transporters using Enhanced Sampling Techniques Biophysical Journal. 108: 144a. DOI: 10.1016/J.Bpj.2014.11.797  0.404
2015 Vermaas JV, Tajkhorshid E. Strength, Not Depth: An Exploration of Differential Membrane Binding Kinetics of Synaptotagmin-1 and Synaptotagmin-7 C2 Domains Biophysical Journal. 108: 555a. DOI: 10.1016/J.Bpj.2014.11.3045  0.477
2015 Tajkhorshid E, Moradi M, Li J, Wen P, Thangapandian S, Vermaas J. Advances in Atomic-Level Simulations of Large-Scale Functional Motions of Membrane Transporters Biophysical Journal. 108: 371a. DOI: 10.1016/J.Bpj.2014.11.2032  0.502
2015 Baylon JL, Tietjen GT, Lee KYC, Adams EJ, Tajkhorshid E. Molecular Details of the Mechanism of PS Recognition by TIM Proteins Biophysical Journal. 108: 248a-249a. DOI: 10.1016/J.Bpj.2014.11.1375  0.516
2014 Blanchard AE, Arcario MJ, Schulten K, Tajkhorshid E. A highly tilted membrane configuration for the prefusion state of synaptobrevin. Biophysical Journal. 107: 2112-21. PMID 25418096 DOI: 10.1016/J.Bpj.2014.09.013  0.616
2014 Arcario MJ, Tajkhorshid E. Membrane-induced structural rearrangement and identification of a novel membrane anchor in talin F2F3. Biophysical Journal. 107: 2059-69. PMID 25418091 DOI: 10.1016/J.Bpj.2014.09.022  0.497
2014 Barati Farimani A, Aluru NR, Tajkhorshid E. Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins. Applied Physics Letters. 105: 083702. PMID 25316927 DOI: 10.1063/1.4893782  0.302
2014 Arcario MJ, Mayne CG, Tajkhorshid E. Atomistic models of general anesthetics for use in in silico biological studies. The Journal of Physical Chemistry. B. 118: 12075-86. PMID 25303275 DOI: 10.1021/Jp502716M  0.502
2014 Ahn YO, Mahinthichaichan P, Lee HJ, Ouyang H, Kaluka D, Yeh SR, Arjona D, Rousseau DL, Tajkhorshid E, Adelroth P, Gennis RB. Conformational coupling between the active site and residues within the K(C)-channel of the Vibrio cholerae cbb3-type (C-family) oxygen reductase. Proceedings of the National Academy of Sciences of the United States of America. 111: E4419-28. PMID 25288772 DOI: 10.1073/Pnas.1411676111  0.328
2014 Vermaas JV, Tajkhorshid E. Conformational heterogeneity of α-synuclein in membrane. Biochimica Et Biophysica Acta. 1838: 3107-17. PMID 25135664 DOI: 10.1016/J.Bbamem.2014.08.012  0.776
2014 Moradi M, Tajkhorshid E. Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems. Journal of Chemical Theory and Computation. 10: 2866-2880. PMID 25018675 DOI: 10.1021/Ct5002285  0.318
2014 Mishra S, Verhalen B, Stein RA, Wen PC, Tajkhorshid E, Mchaourab HS. Conformational dynamics of the nucleotide binding domains and the power stroke of a heterodimeric ABC transporter. Elife. 3: e02740. PMID 24837547 DOI: 10.7554/Elife.02740  0.396
2014 Hulse RE, Sachleben JR, Wen PC, Moradi M, Tajkhorshid E, Perozo E. Conformational dynamics at the inner gate of KcsA during activation. Biochemistry. 53: 2557-9. PMID 24621378 DOI: 10.1021/Bi500168U  0.374
2014 Pogorelov TV, Vermaas JV, Arcario MJ, Tajkhorshid E. Partitioning of amino acids into a model membrane: capturing the interface. The Journal of Physical Chemistry. B. 118: 1481-92. PMID 24451004 DOI: 10.1021/Jp4089113  0.832
2014 Han W, Cheng RC, Maduke MC, Tajkhorshid E. Water access points and hydration pathways in CLC H+/Cl- transporters. Proceedings of the National Academy of Sciences of the United States of America. 111: 1819-24. PMID 24379362 DOI: 10.1073/Pnas.1317890111  0.383
2014 Vermaas JV, Tajkhorshid E. A microscopic view of phospholipid insertion into biological membranes. The Journal of Physical Chemistry. B. 118: 1754-64. PMID 24313792 DOI: 10.1021/Jp409854W  0.758
2014 Reza Kalani M, Tajkhorshid E. Molecular Dynamics: The Computational Molecular Microscope Razavi International Journal of Medicine. 2. DOI: 10.5812/Rijm.20117  0.356
2014 Skeby KK, Tajkhorshid E, Birgit S. Capturing Spontaneous Binding of Human Islet Amyloid Polypeptide to Anionic Membranes using a Highly Mobile Membrane Mimetic Model Biophysical Journal. 106: 98a. DOI: 10.1016/J.Bpj.2013.11.614  0.508
2014 Thangapandian S, Tajkhorshid E. Probing Drug-Binding Pathways in P-Glycoprotein with Ensemble Docking Biophysical Journal. 106: 791a. DOI: 10.1016/J.Bpj.2013.11.4334  0.445
2014 Wen P, Tajkhorshid E. Multiple Membrane-Compatible Conformations of an Substrate-Binding Component of ECF Transporters Biophysical Journal. 106: 790a. DOI: 10.1016/J.Bpj.2013.11.4330  0.464
2014 Moradi M, Tajkhorshid E. Characterizing Conformational Ensemble and Free Energy Landscape of ABC Exporters using a Novel System-Specific Sampling Approach Biophysical Journal. 106: 789a. DOI: 10.1016/J.Bpj.2013.11.4328  0.417
2014 Farimani AB, Tajkhorshid E, Aluru N. Thermodynamics of Water Entry in Aquaporins Biophysical Journal. 106: 559a. DOI: 10.1016/J.Bpj.2013.11.3108  0.348
2014 Arcario MJ, Tajkhorshid E. Utilizing Non-Equilibrium Methods to Probe the Effects of General Anesthetics on Ligand-Gated Ion Channel Dynamics Biophysical Journal. 106: 545a-546a. DOI: 10.1016/J.Bpj.2013.11.3039  0.425
2014 Vermaas JV, Taguchi AT, Wraight CA, Tajkhorshid E. Characterization of 2- and 3-Methoxy in Ubiquinone Binding and Redox Tuning within the Photosynthetic Reaction Center of Rhodobacter Sphaeroides Biophysical Journal. 106: 370a. DOI: 10.1016/J.Bpj.2013.11.2096  0.384
2014 Shekhar M, Enkavi G, Tajkhorshid E. An Insight into the XylE Transport Cycle by Characterizing Proton Binding Site and its Coupling to the Substrate Transport Biophysical Journal. 106: 367a. DOI: 10.1016/J.Bpj.2013.11.2081  0.437
2014 Li J, Tajkhorshid E. Coupling of Ion Binding and Conformational Equilibrium in Na+-Driven Secondary Active Transporters Biophysical Journal. 106: 366a. DOI: 10.1016/J.Bpj.2013.11.2074  0.421
2014 Baylon J, Tajkhorshid E. Probing Ligand Dynamics in Membrane-Bound Cytochrome P450 3A4 to Characterize Substrate Access and Product Egress Pathways Biophysical Journal. 106: 13a. DOI: 10.1016/J.Bpj.2013.11.127  0.47
2014 Tajkhorshid E. Visualizing functional motions of membrane transporters at high temporal and spatial resolutions Biochimica Et Biophysica Acta (Bba) - Bioenergetics. 1837: e106. DOI: 10.1016/J.Bbabio.2014.05.253  0.337
2014 Enkavi G, Li J, Wen P, Thangapandian S, Moradi M, Jiang T, Han W, Tajkhorshid E. A microscopic view of the mechanisms of active transport across the cellular membrane Annual Reports in Computational Chemistry. 10: 77-125. DOI: 10.1016/B978-0-444-63378-1.00004-5  0.482
2013 Moradi M, Tajkhorshid E. Mechanistic picture for conformational transition of a membrane transporter at atomic resolution. Proceedings of the National Academy of Sciences of the United States of America. 110: 18916-21. PMID 24191018 DOI: 10.1073/Pnas.1313202110  0.451
2013 Mayne CG, Saam J, Schulten K, Tajkhorshid E, Gumbart JC. Rapid parameterization of small molecules using the Force Field Toolkit. Journal of Computational Chemistry. 34: 2757-70. PMID 24000174 DOI: 10.1002/Jcc.23422  0.451
2013 Kalani MR, Moradi A, Moradi M, Tajkhorshid E. Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin. Biophysical Journal. 105: 993-1003. PMID 23972851 DOI: 10.1016/J.Bpj.2013.06.047  0.372
2013 Kosinska Eriksson U, Fischer G, Friemann R, Enkavi G, Tajkhorshid E, Neutze R. Subangstrom resolution X-ray structure details aquaporin-water interactions. Science (New York, N.Y.). 340: 1346-9. PMID 23766328 DOI: 10.1126/Science.1234306  0.358
2013 Baylon JL, Lenov IL, Sligar SG, Tajkhorshid E. Characterizing the membrane-bound state of cytochrome P450 3A4: structure, depth of insertion, and orientation. Journal of the American Chemical Society. 135: 8542-51. PMID 23697766 DOI: 10.1021/Ja4003525  0.497
2013 Wen PC, Verhalen B, Wilkens S, Mchaourab HS, Tajkhorshid E. On the origin of large flexibility of P-glycoprotein in the inward-facing state. The Journal of Biological Chemistry. 288: 19211-20. PMID 23658020 DOI: 10.1074/Jbc.M113.450114  0.467
2013 Li J, Shaikh SA, Enkavi G, Wen PC, Huang Z, Tajkhorshid E. Transient formation of water-conducting states in membrane transporters. Proceedings of the National Academy of Sciences of the United States of America. 110: 7696-701. PMID 23610412 DOI: 10.1073/Pnas.1218986110  0.449
2013 Geyer RR, Musa-Aziz R, Enkavi G, Mahinthichaichan P, Tajkhorshid E, Boron WF. Movement of NH₃ through the human urea transporter B: a new gas channel. American Journal of Physiology. Renal Physiology. 304: F1447-57. PMID 23552862 DOI: 10.1152/Ajprenal.00609.2012  0.329
2013 Shaikh SA, Li J, Enkavi G, Wen PC, Huang Z, Tajkhorshid E. Visualizing functional motions of membrane transporters with molecular dynamics simulations. Biochemistry. 52: 569-87. PMID 23298176 DOI: 10.1021/Bi301086X  0.427
2013 Enkavi G, Li J, Mahinthichaichan P, Wen PC, Huang Z, Shaikh SA, Tajkhorshid E. Simulation studies of the mechanism of membrane transporters. Methods in Molecular Biology (Clifton, N.J.). 924: 361-405. PMID 23034756 DOI: 10.1007/978-1-62703-017-5_14  0.493
2013 Kalani MR, Moradi A, Moradi M, Tajkhorshid E. Characterizing the Molecular Mechanism of the Histidine Switch Model in Influenza Virus Hemagglutinin Biophysical Journal. 104: 68a. DOI: 10.1016/J.Bpj.2012.11.412  0.423
2013 Jiang T, Tajkhorshid E. Coupling of Anion Selectivity and Proton Transport in CLC-ec1 Biophysical Journal. 104: 627a. DOI: 10.1016/J.Bpj.2012.11.3467  0.391
2013 Baylon JL, Tajkhorshid E. Probing Substrate Access Pathways of the Active Site of Cytochrome P450 3A4 in its Membrane-Bound Form Biophysical Journal. 104: 561a. DOI: 10.1016/J.Bpj.2012.11.3108  0.475
2013 Enkavi G, Tajkhorshid E. Novel Structural and Dynamical Features of Water Permeation through an Aquaporin Crystallized at Sub-Angstrom Resolution Biophysical Journal. 104: 470a. DOI: 10.1016/J.Bpj.2012.11.2599  0.371
2013 Ohkubo Y, Tajkhorshid E. Exploring Membrane-Bound form of the C2 Domain by HMMM Model Biophysical Journal. 104: 432a. DOI: 10.1016/J.Bpj.2012.11.2405  0.491
2013 Mayne CG, Gumbart JC, Tajkhorshid E. The Force Field Toolkit: Software for the Parameterization of Small Molecules from First Principles Biophysical Journal. 104: 31a. DOI: 10.1016/J.Bpj.2012.11.209  0.304
2013 Wen P, Moradi M, Hulse RE, Perozo E, Tajkhorshid E. Conformational Transition of KcsA Gating and the Mechanism of its pH-Dependence Biophysical Journal. 104: 25a. DOI: 10.1016/J.Bpj.2012.11.173  0.393
2013 Li J, Tajkhorshid E. Ion-Coupling of Conformational Equilibrium and Transition in Secondary Active Transporters Biophysical Journal. 104: 288a. DOI: 10.1016/J.Bpj.2012.11.1613  0.436
2013 Stolzenberg S, Huang Z, Mondal S, Weinstein H, Tajkhorshid E. Structural Transition between the Inward- and Outward-Facing States of the Glutamate Transporter in Different Lipid Environments Biophysical Journal. 104: 288a. DOI: 10.1016/J.Bpj.2012.11.1612  0.501
2013 Moradi M, Tajkhorshid E. Outward- to Inward-Facing Transition of MsbA Transporter: A Mechanistic Picture at Atomic Resolution Biophysical Journal. 104: 288a. DOI: 10.1016/J.Bpj.2012.11.1611  0.409
2013 Moradi M, Enkavi G, Tajkhorshid E. Characterizing the Pathway, Free Energy, and the Effect of Substrate Binding on Structural Transition of MFS Transporter GlpT between Inward- and Outward-Facing States Biophysical Journal. 104: 287a. DOI: 10.1016/J.Bpj.2012.11.1607  0.396
2013 Wang Y, Tajkhorshid E. Insight into the Mechanism of Substrate Selectivity and Proton-Coupled Transport in BetP Biophysical Journal. 104: 287a. DOI: 10.1016/J.Bpj.2012.11.1606  0.408
2013 Huang Z, Tajkhorshid E. Proton-Coupled Transition between Outward-Facing and Inward-Facing States in the Uracil Transporter Biophysical Journal. 104: 286a. DOI: 10.1016/J.Bpj.2012.11.1604  0.403
2013 Pogorelov TV, Tajkhorshid E. Host Defense Peptides: Molecular Details of Attack on Bacterial and Neoplastic Mammalian Model Membranes Biophysical Journal. 104: 21a. DOI: 10.1016/J.Bpj.2012.11.152  0.739
2013 Arcario MJ, Tajkhorshid E. Mechanism, Energetics, and Pathways for Association and Binding of Anesthetics to Membranes and Membrane Channels Biophysical Journal. 104: 208a. DOI: 10.1016/J.Bpj.2012.11.1177  0.492
2012 Ohkubo YZ, Pogorelov TV, Arcario MJ, Christensen GA, Tajkhorshid E. Accelerating membrane insertion of peripheral proteins with a novel membrane mimetic model. Biophysical Journal. 102: 2130-9. PMID 22824277 DOI: 10.1016/J.Bpj.2012.03.015  0.758
2012 Levin EJ, Cao Y, Enkavi G, Quick M, Pan Y, Tajkhorshid E, Zhou M. Structure and permeation mechanism of a mammalian urea transporter. Proceedings of the National Academy of Sciences of the United States of America. 109: 11194-9. PMID 22733730 DOI: 10.1073/Pnas.1207362109  0.357
2012 Morrissey JH, Tajkhorshid E, Sligar SG, Rienstra CM. Tissue factor/factor VIIa complex: role of the membrane surface. Thrombosis Research. 129: S8-10. PMID 22417943 DOI: 10.1016/J.Thromres.2012.02.019  0.475
2012 Musgaard M, Thøgersen L, Schiøtt B, Tajkhorshid E. Tracing cytoplasmic Ca(2+) ion and water access points in the Ca(2+)-ATPase. Biophysical Journal. 102: 268-77. PMID 22339863 DOI: 10.1016/J.Bpj.2011.12.009  0.456
2012 Khalili-Araghi F, Tajkhorshid E, Roux B, Schulten K. Molecular dynamics investigation of the ω-current in the Kv1.2 voltage sensor domains. Biophysical Journal. 102: 258-67. PMID 22339862 DOI: 10.1016/J.Bpj.2011.10.057  0.531
2012 Noinaj N, Easley NC, Oke M, Mizuno N, Gumbart J, Boura E, Steere AN, Zak O, Aisen P, Tajkhorshid E, Evans RW, Gorringe AR, Mason AB, Steven AC, Buchanan SK. Structural basis for iron piracy by pathogenic Neisseria. Nature. 483: 53-8. PMID 22327295 DOI: 10.1038/Nature10823  0.323
2012 Barnard TJ, Gumbart J, Peterson JH, Noinaj N, Easley NC, Dautin N, Kuszak AJ, Tajkhorshid E, Bernstein HD, Buchanan SK. Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. Journal of Molecular Biology. 415: 128-42. PMID 22094314 DOI: 10.1016/J.Jmb.2011.10.049  0.407
2012 Li J, Tajkhorshid E. A gate-free pathway for substrate release from the inward-facing state of the Na⁺-galactose transporter. Biochimica Et Biophysica Acta. 1818: 263-71. PMID 21978597 DOI: 10.1016/J.Bbamem.2011.09.011  0.421
2012 Mahinthichaichan P, Hemp J, Gennis RB, Tajkhorshid E. Probing Gas Diffusion Pathways in Cytochrome C Oxidase with Explicit and Implicit Ligand Samplings Biophysical Journal. 102: 713a. DOI: 10.1016/J.Bpj.2011.11.3870  0.371
2012 Li J, Tajkhorshid E. Mechanism of Ion Coupled State Transition in LeuT-fold Transporters Biophysical Journal. 102: 662a. DOI: 10.1016/J.Bpj.2011.11.3605  0.399
2012 Enkavi G, Tajkhorshid E. Transport Cycle of Mitochondrial Carriers from Internal Symmetries Biophysical Journal. 102: 661a. DOI: 10.1016/J.Bpj.2011.11.3602  0.391
2012 Wen P, Tajkhorshid E. Fundamental Difference of Transport Mechanisms Between ABC Importers and Exporters Biophysical Journal. 102: 659a-660a. DOI: 10.1016/J.Bpj.2011.11.3592  0.41
2012 Moradi M, Enkavi G, Tajkhorshid E. Conformational Transition Pathway of GlpT Transporter, Characterized by Nonequilibrium Molecular Dynamics Simulations Biophysical Journal. 102: 605a-606a. DOI: 10.1016/J.Bpj.2011.11.3301  0.412
2012 Vermaas JV, Tajkhorshid E. Conformational Dynamics of Membrane-Bound α-Synuclein in a Highly Mobile Membrane Mimetic Biophysical Journal. 102: 493a. DOI: 10.1016/J.Bpj.2011.11.2700  0.508
2012 Baylon JL, Tajkhorshid E. Capturing Insertion and Dynamics of Membrane-Bound Cytochrome P450 3A4 using a Novel Membrane Mimetic Model Biophysical Journal. 102: 466a. DOI: 10.1016/J.Bpj.2011.11.2557  0.509
2012 Mayne CG, Katzenellenbogen JA, Tajkhorshid E. Characterizing Structural and Dynamical Impacts of Agonist- and Antsgonist-Stabilized Mutants of the Estrogen Receptor Biophysical Journal. 102: 457a. DOI: 10.1016/J.Bpj.2011.11.2508  0.358
2012 Gan W, Moradi M, Tajkhorshid E. Characterizing Transition Pathways in the Transport Cycle of ABC Transporter MsbA Biophysical Journal. 102: 446a. DOI: 10.1016/J.Bpj.2011.11.2446  0.439
2012 Pogorelov TV, Tajkhorshid E. Glycophorin a Helix Insertion, Positioning, and Dimerization in Model Membranes Biophysical Journal. 102: 413a. DOI: 10.1016/J.Bpj.2011.11.2260  0.766
2012 Arcario MJ, Tajkhorshid E. Capturing Spontaneous Membrane Insertion and Membrane-Induced Conformational Changes of Talin at an Atomic Resolution Biophysical Journal. 102: 301a. DOI: 10.1016/J.Bpj.2011.11.1667  0.49
2012 Jiang T, Spies M, Tajkhorshid E. Characterizing an Intermediate State Between Inactive and Active States of RecA Biophysical Journal. 102: 282a. DOI: 10.1016/J.Bpj.2011.11.1561  0.319
2012 Ohkubo YZ, Tajkhorshid E. Formation of Ternary Complex of Factor VIIa, Tissue Factor, and Factor X on the Surface of Anionic Membrane Biophysical Journal. 102: 260a. DOI: 10.1016/J.Bpj.2011.11.1432  0.464
2012 Levin EJ, Cao Y, Enkavi G, Quick M, Pan Y, Tajkhorshid E, Zhou M. Mechanism and Regulation of Urea Permeation in a Mammalian Urea Channel Biophysical Journal. 102: 215a-216a. DOI: 10.1016/J.Bpj.2011.11.1181  0.427
2012 Han W, Tajkhorshid E. Transient Water Chains Connecting the Cytoplasmic and Extracellular Glutamate Gates in CLC Biophysical Journal. 102: 214a. DOI: 10.1016/J.Bpj.2011.11.1175  0.34
2011 Wen PC, Tajkhorshid E. Conformational coupling of the nucleotide-binding and the transmembrane domains in ABC transporters. Biophysical Journal. 101: 680-90. PMID 21806936 DOI: 10.1016/J.Bpj.2011.06.031  0.404
2011 Morrissey JH, Tajkhorshid E, Rienstra CM. Nanoscale studies of protein-membrane interactions in blood clotting. Journal of Thrombosis and Haemostasis : Jth. 9: 162-7. PMID 21781251 DOI: 10.1111/J.1538-7836.2011.04300.X  0.452
2011 Tavoosi N, Davis-Harrison RL, Pogorelov TV, Ohkubo YZ, Arcario MJ, Clay MC, Rienstra CM, Tajkhorshid E, Morrissey JH. Molecular determinants of phospholipid synergy in blood clotting. The Journal of Biological Chemistry. 286: 23247-53. PMID 21561861 DOI: 10.1074/Jbc.M111.251769  0.735
2011 Arcario MJ, Ohkubo YZ, Tajkhorshid E. Capturing spontaneous partitioning of peripheral proteins using a biphasic membrane-mimetic model. The Journal of Physical Chemistry. B. 115: 7029-37. PMID 21561114 DOI: 10.1021/Jp109631Y  0.496
2011 Boettcher JM, Davis-Harrison RL, Clay MC, Nieuwkoop AJ, Ohkubo YZ, Tajkhorshid E, Morrissey JH, Rienstra CM. Atomic view of calcium-induced clustering of phosphatidylserine in mixed lipid bilayers. Biochemistry. 50: 2264-73. PMID 21294564 DOI: 10.1021/Bi1013694  0.44
2011 Arcario MJ, Tajkhorshid E. Dynamic Characterization of the Membrane-Mediated Activation of Integrin by Talin At Atomic Reoslution Blood. 118: 2191-2191. DOI: 10.1182/Blood.V118.21.2191.2191  0.5
2011 Enkavi G, Levin EJ, Zhou M, Tajkhorshid E. Energetics and Molecular Mechanisms of Permeation and Selectivity of Transport in the Urea Transporter Biophysical Journal. 100: 90a-91a. DOI: 10.1016/J.Bpj.2010.12.700  0.441
2011 Ohkubo YZ, Pogorelov TV, Arcario MJ, Tajkhorshid E. Spontaneous Binding of Membrane-Anchoring Proteins Captured with a Highly Mobile Membrane-Mimetic Model Biophysical Journal. 100: 639a-640a. DOI: 10.1016/J.Bpj.2010.12.3674  0.758
2011 Musgaard M, Thøgersen L, Schiøtt B, Tajkhorshid E. Identifying Calcium ion Access Points and Transport Pathways in SERCA Biophysical Journal. 100: 467a. DOI: 10.1016/J.Bpj.2010.12.2742  0.377
2011 Huang Z, Tajkhorshid E. Mechanism of Intracellular Gating in the Glutamate Transporter Biophysical Journal. 100: 412a. DOI: 10.1016/J.Bpj.2010.12.2443  0.389
2011 Maragliano L, Khalili-Araghi F, Tajkhorshid E, Schulten K, Roux B. The Conformational Transition of Kv1.2 Voltage Sensor Domain from Molecular Dynamics Simulations Biophysical Journal. 100: 284a-285a. DOI: 10.1016/J.Bpj.2010.12.1760  0.543
2011 Arcario MJ, Tajkhorshid E. Membrane Insertion and Membrane-Induced Conformational Changes of Talin F2F3 Triggering Integrin Activation Biophysical Journal. 100: 254a-255a. DOI: 10.1016/J.Bpj.2010.12.1607  0.48
2011 Shaikh SA, Tajkhorshid E. Dynamics of the Outward and Inward Facing States of the Serotonin Transporter Biophysical Journal. 100: 248a. DOI: 10.1016/J.Bpj.2010.12.1573  0.386
2011 Li J, Tajkhorshid E. Formation of a Leaky State and Molecular Mechanism of Water Co-Transport in Secondary Transporters Biophysical Journal. 100: 248a. DOI: 10.1016/J.Bpj.2010.12.1571  0.424
2011 Wen P, Tajkhorshid E. Capturing Large-Scale Conformational Dynamics of P-Glycoprotein by MD Simulations Biophysical Journal. 100: 246a. DOI: 10.1016/J.Bpj.2010.12.1563  0.428
2011 Pogorelov TV, Ohkubo YZ, Arcario MJ, Tajkhorshid E. Charachterizing Structure and Dynamics of Calcium-Induced Clusters of Phosphatidylserine in Mixed Lipid Bilayers Biophysical Journal. 100: 172a. DOI: 10.1016/J.Bpj.2010.12.1164  0.735
2010 Shaikh S, Wen PC, Enkavi G, Huang Z, Tajkhorshid E. Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation. Journal of Computational and Theoretical Nanoscience. 7: 2481-2500. PMID 23710155 DOI: 10.1166/Jctn.2010.1636  0.497
2010 Siebert HC, Burg-Roderfeld M, Eckert T, Stötzel S, Kirch U, Diercks T, Humphries MJ, Frank M, Wechselberger R, Tajkhorshid E, Oesser S. Interaction of the α2A domain of integrin with small collagen fragments. Protein & Cell. 1: 393-405. PMID 21203951 DOI: 10.1007/S13238-010-0038-6  0.348
2010 Kokhan O, Wraight CA, Tajkhorshid E. The binding interface of cytochrome c and cytochrome c₁ in the bc₁ complex: rationalizing the role of key residues. Biophysical Journal. 99: 2647-56. PMID 20959106 DOI: 10.1016/J.Bpj.2010.08.042  0.339
2010 Shaikh SA, Tajkhorshid E. Modeling and dynamics of the inward-facing state of a Na+/Cl- dependent neurotransmitter transporter homologue. Plos Computational Biology. 6. PMID 20865057 DOI: 10.1371/Journal.Pcbi.1000905  0.376
2010 Diao J, Maniotis AJ, Folberg R, Tajkhorshid E. Interplay of mechanical and binding properties of Fibronectin type I. Theoretical Chemistry Accounts. 125: 397-405. PMID 20824113 DOI: 10.1007/S00214-009-0677-Y  0.355
2010 Huang Z, Tajkhorshid E. Identification of the third Na+ site and the sequence of extracellular binding events in the glutamate transporter. Biophysical Journal. 99: 1416-25. PMID 20816053 DOI: 10.1016/J.Bpj.2010.06.052  0.366
2010 Wang Y, Shaikh SA, Tajkhorshid E. Exploring transmembrane diffusion pathways with molecular dynamics. Physiology (Bethesda, Md.). 25: 142-54. PMID 20551228 DOI: 10.1152/Physiol.00046.2009  0.441
2010 Khalili-Araghi F, Jogini V, Yarov-Yarovoy V, Tajkhorshid E, Roux B, Schulten K. Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel. Biophysical Journal. 98: 2189-98. PMID 20483327 DOI: 10.1016/J.Bpj.2010.02.056  0.54
2010 Ohkubo YZ, Morrissey JH, Tajkhorshid E. Dynamical view of membrane binding and complex formation of human factor VIIa and tissue factor. Journal of Thrombosis and Haemostasis : Jth. 8: 1044-53. PMID 20180816 DOI: 10.1111/J.1538-7836.2010.03826.X  0.378
2010 Morrissey JH, Davis-Harrison RL, Tavoosi N, Ke K, Pureza V, Boettcher JM, Clay MC, Rienstra CM, Ohkubo YZ, Pogorelov TV, Tajkhorshid E. Protein-phospholipid interactions in blood clotting. Thrombosis Research. 125: S23-5. PMID 20129649 DOI: 10.1016/J.Thromres.2010.01.027  0.751
2010 Enkavi G, Tajkhorshid E. Simulation of spontaneous substrate binding revealing the binding pathway and mechanism and initial conformational response of GlpT. Biochemistry. 49: 1105-14. PMID 20058936 DOI: 10.1021/Bi901412A  0.458
2010 Feng J, Lucchinetti E, Enkavi G, Wang Y, Gehrig P, Roschitzki B, Schaub MC, Tajkhorshid E, Zaugg K, Zaugg M. Tyrosine phosphorylation by Src within the cavity of the adenine nucleotide translocase 1 regulates ADP/ATP exchange in mitochondria. American Journal of Physiology. Cell Physiology. 298: C740-8. PMID 20007455 DOI: 10.1152/Ajpcell.00310.2009  0.3
2010 Wang Y, Tajkhorshid E. Nitric oxide conduction by the brain aquaporin AQP4. Proteins. 78: 661-70. PMID 19842162 DOI: 10.1002/Prot.22595  0.389
2010 Arcario MJ, Tajkhorshid E. Characterizing Membrane-Bound Forms of Coagulation Factors at Atomic Resolution: Exploring Differences In Membrane Affinity. Blood. 116: 1139-1139. DOI: 10.1182/Blood.V116.21.1139.1139  0.498
2010 Pogorelov T, Ohkubo YZ, Tajkhorshid E. Characterizing the Structure and Dynamics of Nanodisc Lipid Bilayers of Different Compositions Biophysical Journal. 98: 665a. DOI: 10.1016/J.Bpj.2009.12.4257  0.762
2010 Ohkubo YZ, Tajkhorshid E. Dynamical Basis of the Enhancement of the Enzymatic Activity of Factor VIIa by Tissue Factor Biophysical Journal. 98: 689a. DOI: 10.1016/J.Bpj.2009.12.3787  0.489
2010 Enkavi G, Tajkhorshid E. Molecular Determinants of the Stoichiometry of Transport in GlpT Biophysical Journal. 98: 687a. DOI: 10.1016/J.Bpj.2009.12.3772  0.387
2010 Shaikh SA, Tajkhorshid E. Modeling of the Inward-Facing State of LeuT and Dynamics of the Outward-To-Inward Transition Biophysical Journal. 98: 687a. DOI: 10.1016/J.Bpj.2009.12.3771  0.349
2010 Li J, Tajkhorshid E. Structural Transition Between the Ion-Releasing and Ion-Binding States of a Secondary Membrane Transporter Biophysical Journal. 98: 686a-687a. DOI: 10.1016/J.Bpj.2009.12.3770  0.368
2010 Huang Z, Tajkhorshid E. Sequence of Events in the Extracellular Half of the Transport Cycle in Glutamate Transporter Biophysical Journal. 98: 686a. DOI: 10.1016/J.Bpj.2009.12.3769  0.362
2010 Wen P, Tajkhorshid E. The Origin of Nucleotide Dependence of Conformational Changes in ABC Transporters Biophysical Journal. 98: 627a-628a. DOI: 10.1016/J.Bpj.2009.12.3436  0.419
2010 Maragliano L, Khalili-Araghi F, Tajkhorshid E, Schulten K, Roux B. Pathway Calculation of the Conformational Transition of the Voltage Sensor Domain in the Kv1.2 Channel Biophysical Journal. 98: 521a. DOI: 10.1016/J.Bpj.2009.12.2831  0.522
2010 Khalili-Araghi F, Jogini V, Yarov-Yarovoy V, Tajkhorshid E, Roux B, Schulten K. Refinement and Validation of Atomic Models of the Kv1.2 Potassium Channel Through Molecular Dynamics and Gating Charge Calculations Biophysical Journal. 98: 520a-521a. DOI: 10.1016/J.Bpj.2009.12.2830  0.537
2010 Tajkhorshid E. A Dynamical View of Membrane Transporter Function at Sub-Angstrom Resolution Biophysical Journal. 98: 211a. DOI: 10.1016/J.Bpj.2009.12.1138  0.488
2009 Li J, Tajkhorshid E. Ion-releasing state of a secondary membrane transporter. Biophysical Journal. 97: L29-31. PMID 19948113 DOI: 10.1016/J.Bpj.2009.09.005  0.361
2009 Bertelsen K, Paaske B, Thøgersen L, Tajkhorshid E, Schiøtt B, Skrydstrup T, Nielsen NC, Vosegaard T. Residue-specific information about the dynamics of antimicrobial peptides from (1)H-(15)N and (2)H solid-state NMR spectroscopy. Journal of the American Chemical Society. 131: 18335-42. PMID 19929000 DOI: 10.1021/Ja908604U  0.494
2009 Gumbart J, Wiener MC, Tajkhorshid E. Coupling of calcium and substrate binding through loop alignment in the outer-membrane transporter BtuB. Journal of Molecular Biology. 393: 1129-42. PMID 19747487 DOI: 10.1016/J.Jmb.2009.09.004  0.416
2009 Law CJ, Enkavi G, Wang DN, Tajkhorshid E. Structural basis of substrate selectivity in the glycerol-3-phosphate: phosphate antiporter GlpT. Biophysical Journal. 97: 1346-53. PMID 19720022 DOI: 10.1016/J.Bpj.2009.06.026  0.404
2009 Morrissey JH, Pureza V, Davis-Harrison RL, Sligar SG, Rienstra CM, Kijac AZ, Ohkubo YZ, Tajkhorshid E. Protein-membrane interactions: blood clotting on nanoscale bilayers. Journal of Thrombosis and Haemostasis : Jth. 7: 169-72. PMID 19630793 DOI: 10.1111/J.1538-7836.2009.03390.X  0.494
2009 Dittmer J, Thøgersen L, Underhaug J, Bertelsen K, Vosegaard T, Pedersen JM, Schiøtt B, Tajkhorshid E, Skrydstrup T, Nielsen NC. Incorporation of antimicrobial peptides into membranes: a combined liquid-state NMR and molecular dynamics study of alamethicin in DMPC/DHPC bicelles. The Journal of Physical Chemistry. B. 113: 6928-37. PMID 19368399 DOI: 10.1021/Jp811494P  0.513
2009 Khalili-Araghi F, Gumbart J, Wen PC, Sotomayor M, Tajkhorshid E, Schulten K. Molecular dynamics simulations of membrane channels and transporters. Current Opinion in Structural Biology. 19: 128-37. PMID 19345092 DOI: 10.1016/J.Sbi.2009.02.011  0.574
2009 Nyblom M, Frick A, Wang Y, Ekvall M, Hallgren K, Hedfalk K, Neutze R, Tajkhorshid E, Törnroth-Horsefield S. Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating. Journal of Molecular Biology. 387: 653-68. PMID 19302796 DOI: 10.1016/J.Jmb.2009.01.065  0.408
2009 Hayashi S, Tajkhorshid E, Schulten K. Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation Biophysical Journal. 96: 403-416. PMID 19167292 DOI: 10.1016/J.Bpj.2008.09.049  0.493
2009 Wang Y, Tajkhorshid E. Molecular Basis of Substrate Selectivity in the ADP/ATP Carrier Biophysical Journal. 96: 7a. DOI: 10.1016/J.Bpj.2008.12.932  0.399
2009 Khalili-Araghi F, Jogini V, Yarov-Yarovoy V, Tajkhorshid E, Roux B, Schulten K. Molecular Dynamics Simulation of the Kv1.2 Potassium Channel Biophysical Journal. 96: 191a-192a. DOI: 10.1016/J.Bpj.2008.12.899  0.538
2009 Ohkubo YZ, Tajkhorshid E. Membrane Association and Insertion of the C2 Domain to Anionic Lipid Bilayers under Tension Biophysical Journal. 96: 610a. DOI: 10.1016/J.Bpj.2008.12.3226  0.465
2009 Shaikh SA, Tajkhorshid E. A symmetric structural model for Acid sensing ion channel-1: Transmembrane domain dynamics and Implications to Gating Biophysical Journal. 96: 486a. DOI: 10.1016/J.Bpj.2008.12.2508  0.386
2009 Gumbart JC, Wiener MC, Tajkhorshid E. Coupling of Ca2+ and Substrate Binding in the Outer Membrane Transporter BtuB Biophysical Journal. 96: 272a. DOI: 10.1016/J.Bpj.2008.12.1346  0.381
2009 Huang Z, Tajkhorshid E. Binding Sequence And Coupling Of H+ And Na+ Ions In The Glutamate Transporter (glt) Biophysical Journal. 96: 270a. DOI: 10.1016/J.Bpj.2008.12.1337  0.357
2008 Wen PC, Tajkhorshid E. Dimer opening of the nucleotide binding domains of ABC transporters after ATP hydrolysis. Biophysical Journal. 95: 5100-10. PMID 18790847 DOI: 10.1529/Biophysj.108.139444  0.398
2008 Shaikh SA, Tajkhorshid E. Potential cation and H+ binding sites in acid sensing ion channel-1. Biophysical Journal. 95: 5153-64. PMID 18790845 DOI: 10.1529/Biophysj.108.141606  0.354
2008 Morrissey JH, Pureza V, Davis-Harrison RL, Sligar SG, Ohkubo YZ, Tajkhorshid E. Blood clotting reactions on nanoscale phospholipid bilayers. Thrombosis Research. 122: S23-6. PMID 18691494 DOI: 10.1016/S0049-3848(08)70014-8  0.473
2008 Thøgersen L, Schiøtt B, Vosegaard T, Nielsen NC, Tajkhorshid E. Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics study. Biophysical Journal. 95: 4337-47. PMID 18676652 DOI: 10.1529/Biophysj.108.133330  0.488
2008 Wang Y, Tajkhorshid E. Electrostatic funneling of substrate in mitochondrial inner membrane carriers. Proceedings of the National Academy of Sciences of the United States of America. 105: 9598-603. PMID 18621725 DOI: 10.1073/Pnas.0801786105  0.406
2008 Huang Z, Tajkhorshid E. Dynamics of the extracellular gate and ion-substrate coupling in the glutamate transporter. Biophysical Journal. 95: 2292-300. PMID 18515371 DOI: 10.1529/Biophysj.108.133421  0.381
2008 Isin B, Schulten K, Tajkhorshid E, Bahar I. Mechanism of signal propagation upon retinal isomerization: insights from molecular dynamics simulations of rhodopsin restrained by normal modes. Biophysical Journal. 95: 789-803. PMID 18390613 DOI: 10.1529/Biophysj.107.120691  0.509
2008 Vosegaard T, Bertelsen K, Pedersen JM, Thøgersen L, Schiøtt B, Tajkhorshid E, Skrydstrup T, Nielsen NC. Resolution enhancement in solid-state NMR of oriented membrane proteins by anisotropic differential linebroadening. Journal of the American Chemical Society. 130: 5028-9. PMID 18341279 DOI: 10.1021/Ja8000612  0.49
2008 Ohkubo YZ, Tajkhorshid E. Distinct structural and adhesive roles of Ca2+ in membrane binding of blood coagulation factors. Structure (London, England : 1993). 16: 72-81. PMID 18184585 DOI: 10.1016/J.Str.2007.10.021  0.424
2008 Celik L, Schiøtt B, Tajkhorshid E. Substrate binding and formation of an occluded state in the leucine transporter. Biophysical Journal. 94: 1600-12. PMID 18024499 DOI: 10.1529/Biophysj.107.117580  0.497
2008 Hénin J, Tajkhorshid E, Schulten K, Chipot C. Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophysical Journal. 94: 832-9. PMID 17921212 DOI: 10.1529/Biophysj.107.115105  0.531
2008 Wang Y, Ohkubo YZ, Tajkhorshid E. Chapter 12 Gas Conduction of Lipid Bilayers and Membrane Channels Current Topics in Membranes. 60: 343-367. DOI: 10.1016/S1063-5823(08)00012-4  0.443
2007 Wang Y, Tajkhorshid E. Molecular mechanisms of conduction and selectivity in aquaporin water channels. The Journal of Nutrition. 137: 1509S-1515S; discuss. PMID 17513417 DOI: 10.1093/Jn/137.6.1509S  0.443
2007 Gumbart J, Wiener MC, Tajkhorshid E. Mechanics of force propagation in TonB-dependent outer membrane transport. Biophysical Journal. 93: 496-504. PMID 17449669 DOI: 10.1529/Biophysj.107.104158  0.45
2007 Jensen MØ, Yin Y, Tajkhorshid E, Schulten K. Sugar transport across lactose permease probed by steered molecular dynamics. Biophysical Journal. 93: 92-102. PMID 17434947 DOI: 10.1529/Biophysj.107.103994  0.525
2007 Wang Y, Cohen J, Boron WF, Schulten K, Tajkhorshid E. Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics. Journal of Structural Biology. 157: 534-44. PMID 17306562 DOI: 10.1016/J.Jsb.2006.11.008  0.556
2006 Yin Y, Jensen MØ, Tajkhorshid E, Schulten K. Sugar binding and protein conformational changes in lactose permease. Biophysical Journal. 91: 3972-85. PMID 16963502 DOI: 10.1529/Biophysj.106.085993  0.613
2006 Yu J, Yool AJ, Schulten K, Tajkhorshid E. Mechanism of gating and ion conductivity of a possible tetrameric pore in aquaporin-1. Structure (London, England : 1993). 14: 1411-23. PMID 16962972 DOI: 10.1016/J.Str.2006.07.006  0.511
2006 Hoffmann M, Wanko M, Strodel P, König PH, Frauenheim T, Schulten K, Thiel W, Tajkhorshid E, Elstner M. Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II. Journal of the American Chemical Society. 128: 10808-18. PMID 16910676 DOI: 10.1021/Ja062082I  0.472
2006 Khalili-Araghi F, Tajkhorshid E, Schulten K. Dynamics of K+ ion conduction through Kv1.2. Biophysical Journal. 91: L72-4. PMID 16844753 DOI: 10.1529/Biophysj.106.091926  0.469
2006 König PH, Ghosh N, Hoffmann M, Elstner M, Tajkhorshid E, Frauenheim T, Cui Q. Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps. The Journal of Physical Chemistry. A. 110: 548-63. PMID 16405327 DOI: 10.1021/Jp052328Q  0.367
2006 Törnroth-Horsefield S, Wang Y, Hedfalk K, Johanson U, Karlsson M, Tajkhorshid E, Neutze R, Kjellbom P. Structural mechanism of plant aquaporin gating. Nature. 439: 688-94. PMID 16340961 DOI: 10.1038/Nature04316  0.415
2005 Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L, Schulten K. Scalable molecular dynamics with NAMD. Journal of Computational Chemistry. 26: 1781-802. PMID 16222654 DOI: 10.1002/Jcc.20289  0.544
2005 Wang Y, Schulten K, Tajkhorshid E. What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF. Structure (London, England : 1993). 13: 1107-18. PMID 16084383 DOI: 10.1016/J.Str.2005.05.005  0.492
2005 Gumbart J, Wang Y, Aksimentiev A, Tajkhorshid E, Schulten K. Molecular dynamics simulations of proteins in lipid bilayers Current Opinion in Structural Biology. 15: 423-431. PMID 16043343 DOI: 10.1016/J.Sbi.2005.07.007  0.617
2005 André S, Kaltner H, Lensch M, Russwurm R, Siebert HC, Fallsehr C, Tajkhorshid E, Heck AJ, von Knebel Doeberitz M, Gabius HJ, Kopitz J. Determination of structural and functional overlap/divergence of five proto-type galectins by analysis of the growth-regulatory interaction with ganglioside GM1 in silico and in vitro on human neuroblastoma cells. International Journal of Cancer. Journal International Du Cancer. 114: 46-57. PMID 15523676 DOI: 10.1002/Ijc.20699  0.302
2005 Baudry J, Tajkhorshid E, Schulten K. Complementarities and convergence of results in bacteriorhodopsin trimer simulations. Biophysical Journal. 87: 1394-5; author reply. PMID 15298942 DOI: 10.1529/biophysj.104.041418  0.387
2004 Zhu F, Tajkhorshid E, Schulten K. Collective diffusion model for water permeation through microscopic channels. Physical Review Letters. 93: 224501. PMID 15601094 DOI: 10.1103/Physrevlett.93.224501  0.458
2004 Hayashi S, Tajkhorshid E, Kandori H, Schulten K. Role of hydrogen-bond network in energy storage of bacteriorhodopsin's light-driven proton pump revealed by ab initio normal-mode analysis. Journal of the American Chemical Society. 126: 10516-7. PMID 15327290 DOI: 10.1021/Ja047506S  0.449
2004 Autenrieth F, Tajkhorshid E, Baudry J, Luthey-Schulten Z. Classical force field parameters for the heme prosthetic group of cytochrome c Journal of Computational Chemistry. 25: 1613-1622. PMID 15264255 DOI: 10.1002/Jcc.20079  0.591
2004 Ilan B, Tajkhorshid E, Schulten K, Voth GA. The mechanism of proton exclusion in aquaporin channels. Proteins. 55: 223-8. PMID 15048815 DOI: 10.1002/Prot.20038  0.5
2004 Chakrabarti N, Tajkhorshid E, Roux B, Pomès R. Molecular basis of proton blockage in aquaporins. Structure (London, England : 1993). 12: 65-74. PMID 14725766 DOI: 10.1016/J.Str.2003.11.017  0.376
2004 Zhu F, Tajkhorshid E, Schulten K. Theory and simulation of water permeation in aquaporin-1. Biophysical Journal. 86: 50-7. PMID 14695248 DOI: 10.1016/S0006-3495(04)74082-5  0.499
2004 Jensen MØ, Tajkhorshid E, Schulten K. Electrostatic tuning of permeation and selectivity in aquaporin water channels. Biophysical Journal. 85: 2884-99. PMID 14581193 DOI: 10.1016/S0006-3495(03)74711-0  0.513
2004 Hayashi S, Tajkhorshid E, Schulten K. Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore. Biophysical Journal. 85: 1440-9. PMID 12944261 DOI: 10.1016/S0006-3495(03)74576-7  0.49
2004 Autenrieth F, Tajkhorshid E, Schulten K, Luthey-Schulten Z. Role of water in transient cytochrome c 2 docking Journal of Physical Chemistry B. 108: 20376-20387. DOI: 10.1021/Jp047994Q  0.653
2003 Siebert HC, André S, Lu SY, Frank M, Kaltner H, van Kuik JA, Korchagina EY, Bovin N, Tajkhorshid E, Kaptein R, Vliegenthart JF, von der Lieth CW, Jiménez-Barbero J, Kopitz J, Gabius HJ. Unique conformer selection of human growth-regulatory lectin galectin-1 for ganglioside GM1 versus bacterial toxins. Biochemistry. 42: 14762-73. PMID 14674750 DOI: 10.1021/Bi035477C  0.452
2003 Tajkhorshid E, Aksimentiev A, Balabin I, Gao M, Isralewitz B, Phillips JC, Zhu F, Schulten K. Large scale simulation of protein mechanics and function. Advances in Protein Chemistry. 66: 195-247. PMID 14631820 DOI: 10.1016/S0065-3233(03)66006-7  0.514
2003 Grayson P, Tajkhorshid E, Schulten K. Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Biophysical Journal. 85: 36-48. PMID 12829462 DOI: 10.1016/S0006-3495(03)74452-X  0.555
2003 Saam J, Tajkhorshid E, Hayashi S, Schulten K. Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin. Biophysical Journal. 83: 3097-112. PMID 12496081 DOI: 10.1016/S0006-3495(02)75314-9  0.52
2003 Hayashi S, Tajkhorshid E, Schulten K. Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle. Biophysical Journal. 83: 1281-97. PMID 12202355 DOI: 10.1016/S0006-3495(02)73900-3  0.521
2003 Park S, Khalili-Araghi F, Tajkhorshid E, Schulten K. Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality Journal of Chemical Physics. 119: 3559-3566. DOI: 10.1063/1.1590311  0.483
2002 Zhu F, Tajkhorshid E, Schulten K. Pressure-induced water transport in membrane channels studied by molecular dynamics. Biophysical Journal. 83: 154-60. PMID 12080108 DOI: 10.1016/S0006-3495(02)75157-6  0.54
2002 Jensen MØ, Park S, Tajkhorshid E, Schulten K. Energetics of glycerol conduction through aquaglyceroporin GlpF. Proceedings of the National Academy of Sciences of the United States of America. 99: 6731-6. PMID 11997475 DOI: 10.1073/Pnas.102649299  0.543
2002 Tajkhorshid E, Nollert P, Jensen MØ, Miercke LJ, O'Connell J, Stroud RM, Schulten K. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Science (New York, N.Y.). 296: 525-30. PMID 11964478 DOI: 10.1126/Science.1067778  0.521
2002 Jensen MO, Tajkhorshid E, Schulten K. The mechanism of glycerol conduction in aquaglyceroporins. Structure (London, England : 1993). 9: 1083-93. PMID 11709172 DOI: 10.1016/S0969-2126(01)00668-2  0.462
2002 Zhou H, Tajkhorshid E, Frauenheim T, Suhai S, Elstner M. Performance of the AM1, PM3, and SCC-DFTB methods in the study of conjugated Schiff base molecules Chemical Physics. 277: 91-103. DOI: 10.1016/S0301-0104(01)00695-4  0.45
2001 Zhu F, Tajkhorshid E, Schulten K. Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer. Febs Letters. 504: 212-8. PMID 11532456 DOI: 10.1016/S0014-5793(01)02749-1  0.554
2001 Hayashi S, Tajkhorshid E, Pebay-Peyroula E, Royant A, Landau EM, Navarro J, Schulten K. Structural determinants of spectral tuning in retinal proteins - Bacteriorhodopsin vs sensory rhodopsin II Journal of Physical Chemistry B. 105: 10124-10131. DOI: 10.1021/Jp011362B  0.461
2001 Baudry J, Tajkhorshid E, Molnar F, Phillips J, Schulten K. Molecular Dynamics Study of Bacteriorhodopsin and the Purple Membrane The Journal of Physical Chemistry B. 105: 905-918. DOI: 10.1021/Jp000898E  0.575
2001 Jalkanen K, Nieminen R, Frimand K, Bohr J, Bohr H, Wade R, Tajkhorshid E, Suhai S. A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine Chemical Physics. 265: 125-151. DOI: 10.1016/S0301-0104(01)00267-1  0.431
2000 Tajkhorshid E, Baudry J, Schulten K, Suhai S. Molecular dynamics study of the nature and origin of retinal's twisted structure in bacteriorhodopsin. Biophysical Journal. 78: 683-93. PMID 10653781 DOI: 10.1016/S0006-3495(00)76626-4  0.608
2000 Tajkhorshid E, Suhai S. The dielectric effect of the environment on the p K a of the retinal Schiff base and on the stabilization of the ion pair in bacteriorhodopsin Journal of Molecular Structure-Theochem. 501: 297-313. DOI: 10.1016/S0166-1280(99)00441-8  0.568
1998 von der Lieth C, Siebert H, Kozár T, Burchert M, Frank M, Gilleron M, Kaltner H, Kayser G, Tajkhorshid E, Bovin NV, Vliegenthart JF, Gabius H. Lectin ligands: new insights into their conformations and their dynamic behavior and the discovery of conformer selection by lectins. Acta Anatomica. 161: 91-109. PMID 9780353 DOI: 10.1159/000046452  0.333
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