Emad Tajkhorshid - Publications

University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
General Biophysics

171 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
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  0.56
2021 Mayne CG, Toy W, Carlson KE, Bhatt T, Fanning SW, Greene GL, Katzenellenbogen BS, Chandarlapaty S, Katzenellenbogen JA, Tajkhorshid E. Defining the Energetic Basis for a Conformational Switch Mediating Ligand-Independent Activation of Mutant Estrogen Receptors in Breast Cancer. Molecular Cancer Research : McR. PMID 34021071 DOI: 10.1158/1541-7786.MCR-20-1017  0.52
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  0.32
2021 Zabret J, Bohn S, Schuller SK, Arnolds O, Möller M, Meier-Credo J, Liauw P, Chan A, Tajkhorshid E, Langer JD, Stoll R, Krieger-Liszkay A, Engel BD, Rudack T, Schuller JM, et al. Structural insights into photosystem II assembly. Nature Plants. 7: 524-538. PMID 33846594 DOI: 10.1038/s41477-021-00895-0  0.48
2021 Brooks CL, Case DA, Plimpton S, Roux B, van der Spoel D, Tajkhorshid E. Classical molecular dynamics. The Journal of Chemical Physics. 154: 100401. PMID 33722022 DOI: 10.1063/5.0045455  0.36
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  0.36
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  0.96
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  0.36
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  0.72
2020 Pang YT, Pavlova A, Tajkhorshid E, Gumbart JC. Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison. The Journal of Chemical Physics. 153: 164104. PMID 33138412 DOI: 10.1063/5.0022802  0.4
2020 Thomas C, Aller SG, Beis K, Carpenter EP, Chang G, Chen L, Dassa E, Dean M, Duong Van Hoa F, Ekiert D, Ford R, Gaudet R, Gong X, Holland IB, Huang Y, ... ... Tajkhorshid E, et al. Structural and functional diversity calls for a new classification of ABC transporters. Febs Letters. PMID 32978974 DOI: 10.1002/1873-3468.13935  0.56
2020 Chen H, Maia J, Radak BK, Hardy DJ, Cai W, Chipot C, Tajkhorshid E. Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. Journal of Chemical Information and Modeling. PMID 32805108 DOI: 10.1021/Acs.Jcim.0C00745  0.32
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  0.92
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 Smith JW, Jiang X, An H, Barclay AM, Licari G, Tajkhorshid E, Moore EG, Rienstra CM, Moore JS, Chen Q. Polymer-Peptide Conjugates Convert Amyloid into Protein Nanobundles through Fragmentation and Lateral Association. Acs Applied Nano Materials. 3: 937-945. PMID 32149271 DOI: 10.1021/acsanm.9b01331  0.48
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  0.36
2019 Jiang X, Halmes AJ, Licari G, Smith JW, Song Y, Moore EG, Chen Q, Tajkhorshid E, Rienstra CM, Moore JS. Multivalent Polymer-Peptide Conjugates-A General Platform for Inhibiting Amyloid Beta Peptide Aggregation. Acs Macro Letters. 8: 1365-1371. PMID 32149017 DOI: 10.1021/Acsmacrolett.9B00559  0.48
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  0.96
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  0.72
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  0.92
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  0.48
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  0.72
2019 Denisov IG, Grinkova YV, Nandigrami P, Shekhar M, Tajkhorshid E, Sligar SG. Correction to "Allosteric Interactions in Human Cytochrome P450 CYP3A4: The Role of Phenylalanine 213". Biochemistry. PMID 31181900 DOI: 10.1021/Acs.Biochem.9B00438  0.96
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  0.56
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  0.56
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  0.92
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  0.4
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  0.96
2018 Fanning SW, Jeselsohn R, Dharmarajan V, Mayne CG, Karimi M, Buchwalter G, Houtman R, Toy W, Fowler CE, Han R, Lainé M, Carlson KE, Martin TA, Nowak J, Nwachukwu JC, ... ... Tajkhorshid E, et al. The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells. Elife. 7. PMID 30489256 DOI: 10.7554/Elife.37161  0.52
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  0.64
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  0.72
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  0.96
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  0.56
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  0.36
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: 10.1016/J.Bpj.2018.11.704  0.64
2018 Speltz TE, Mayne CG, Fanning SW, Siddiqui Z, Tajkhorshid E, Greene GL, Moore TW. A "cross-stitched" peptide with improved helicity and proteolytic stability. Organic & Biomolecular Chemistry. PMID 29725689 DOI: 10.1039/C8Ob00790J  0.52
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: 10.1016/J.Bpj.2018.11.031  0.36
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  0.92
2018 Fanning SW, Jeselsohn R, Dharmarajan V, Mayne CG, Karimi M, Buchwalter G, Houtman R, Toy W, Fowler CE, Han R, Lainé M, Carlson KE, Martin TA, Nowak J, Nwachukwu JC, ... ... Tajkhorshid E, et al. Author response: The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells Elife. DOI: 10.7554/Elife.37161.024  0.52
2018 Speltz TE, Danes JM, Fanning SW, Mayne CG, Tajkhorshid E, Greene GL, Frasor JM, Moore TW. Abstract 1810: Stapled peptide inhibitors of mutant estrogen receptor/coactivator interactions Cancer Research. 78: 1810-1810. DOI: 10.1158/1538-7445.Am2018-1810  0.52
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  0.96
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  0.96
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  0.36
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  0.96
2017 Chen S, Zhao Y, Wang Y, Shekhar M, Tajkhorshid E, Gouaux E. Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM. Cell. PMID 28823560 DOI: 10.1016/J.Bpj.2017.11.710  0.72
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  0.48
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  0.56
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  0.96
2017 Tajkhorshid E, Chipot C. Tribute to Klaus Schulten. The Journal of Physical Chemistry. B. 121: 3203-3205. PMID 28423902 DOI: 10.1021/Acs.Jpcb.7B02140  0.32
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  0.52
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  0.48
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  0.64
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  0.48
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  0.72
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  0.64
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  0.96
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  0.72
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  0.96
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  0.92
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  0.96
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  0.96
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  0.96
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  0.64
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  0.96
2016 Speltz TE, Fanning SW, Mayne CG, Fowler C, Tajkhorshid E, Greene GL, Moore TW. Stapled Peptides with γ-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction. Angewandte Chemie (International Ed. in English). PMID 26928945 DOI: 10.1002/Anie.201510557  0.96
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  0.96
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  0.96
2016 Fanning SW, Mayne CG, Dharmarajan V, Carlson KE, Martin TA, Novick SJ, Toy W, Green B, Panchamukhi S, Katzenellenbogen BS, Tajkhorshid E, Griffin PR, Shen Y, Chandarlapaty S, Katzenellenbogen JA, et al. Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation. Elife. 5. PMID 26836308 DOI: 10.7554/Elife.12792  0.52
2016 Fanning SW, Dharmarajan V, Mayne CG, Toy W, Carlson KE, Martin TA, Nowak J, Nwachukwu J, Hosfield DJ, Tajkhorshid E, Chandarlapaty S, Griffin P, Shen Y, Katzenellenbogen JA, Greene GL. Abstract 4854: Bazedoxifene inhibits ESR1 somatic mutants with improved potency compared to tamoxifene and raloxifene Cancer Research. 76: 4854-4854. DOI: 10.1158/1538-7445.Am2016-4854  0.52
2016 Moore TW, Speltz TE, Fanning SW, Mayne CG, Frasor J, Greene GL, Tajkhorshid E. Abstract 3104: Stapled peptide inhibitors of the estrogen receptor/steroid receptor coactivator interaction Cancer Research. 76: 3104-3104. DOI: 10.1158/1538-7445.Am2016-3104  0.52
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.52
2014 Smith SN, Wang Y, Baylon JL, Singh NK, Baker BM, Tajkhorshid E, Kranz DM. Changing the peptide specificity of a human T-cell receptor by directed evolution. Nature Communications. 5: 5223. PMID 25376839 DOI: 10.1038/Ncomms6223  0.96
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  0.96
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  0.52
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  0.96
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  0.64
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  0.96
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  0.56
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  0.96
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  0.96
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  0.64
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  0.48
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  0.96
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  0.96
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  0.96
2013 Moradi M, Tajkhorshid E. Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations. The Journal of Physical Chemistry Letters. 4: 1882-1887. PMID 23795244 DOI: 10.1021/Jz400816X  0.96
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  0.96
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  0.96
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  0.96
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  0.56
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  0.96
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  0.56
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  0.56
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.56
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  0.96
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  0.96
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  0.96
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  0.96
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  0.56
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  0.96
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  0.96
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  0.96
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  0.36
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  0.96
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  0.96
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  0.96
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  0.36
2010 Wang Y, Tajkhorshid E. Nitric oxide conduction by the brain aquaporin AQP4. Proteins. 78: 661-70. PMID 19842162 DOI: 10.1002/Prot.22595  0.36
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.96
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  0.56
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  0.96
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  0.96
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  0.36
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  0.92
2008 Diao J, Tajkhorshid E. Indirect role of Ca2+ in the assembly of extracellular matrix proteins. Biophysical Journal. 95: 120-7. PMID 18359797 DOI: 10.1529/Biophysj.108.129106  0.96
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  0.96
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  0.96
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  0.96
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  0.92
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  0.96
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  0.36
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  0.96
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  0.92
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  0.96
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  0.92
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  0.96
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  0.92
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  0.96
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  0.96
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  0.96
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  0.92
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  0.96
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  0.92
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  0.96
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  0.96
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  0.36
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  0.92
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  0.96
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  0.96
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  0.96
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  0.96
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  0.92
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  0.92
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  0.92
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  0.92
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  0.96
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  0.92
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