Year |
Citation |
Score |
2024 |
Scaletti C, Russell PPS, Hebel KJ, Rickard MM, Boob M, Danksagmüller F, Taylor SA, Pogorelov TV, Gruebele M. Hydrogen bonding heterogeneity correlates with protein folding transition state passage time as revealed by data sonification. Proceedings of the National Academy of Sciences of the United States of America. 121: e2319094121. PMID 38768341 DOI: 10.1073/pnas.2319094121 |
0.751 |
|
2024 |
Samuel Russell PP, Maytin AK, Rickard MM, Russell MC, Pogorelov TV, Gruebele M. Metastable States in the Hinge-Bending Landscape of an Enzyme in an Atomistic Cytoplasm Simulation. The Journal of Physical Chemistry Letters. 940-946. PMID 38252018 DOI: 10.1021/acs.jpclett.3c03134 |
0.776 |
|
2023 |
Samuel Russell PP, Alaeen S, Pogorelov TV. In-Cell Dynamics: The Next Focus of All-Atom Simulations. The Journal of Physical Chemistry. B. 127: 9863-9872. PMID 37793083 DOI: 10.1021/acs.jpcb.3c05166 |
0.423 |
|
2023 |
Russell PPS, Rickard MM, Boob M, Gruebele M, Pogorelov TV. In silico protein dynamics in the human cytoplasm: Partial folding, misfolding, fold switching, and non-native interactions. Protein Science : a Publication of the Protein Society. 32: e4790. PMID 37774143 DOI: 10.1002/pro.4790 |
0.774 |
|
2023 |
Cheng KJ, De Lio AM, Jain R, Paul D, Morrissey JH, Pogorelov TV. Lactadherin's Multistate Binding Predicts Stable Membrane-Bound Conformations of Factors V and VIII's C Domains. Biochemistry. PMID 37747791 DOI: 10.1021/acs.biochem.3c00274 |
0.796 |
|
2023 |
Della Ripa LA, Courtney JM, Phinney SM, Borcik CG, Burke MD, Rienstra CM, Pogorelov TV. Segmental Dynamics of Membranous Cholesterol are Coupled. Journal of the American Chemical Society. PMID 37410392 DOI: 10.1021/jacs.3c01775 |
0.414 |
|
2023 |
Boob MM, Sukenik S, Gruebele M, Pogorelov TV. TMAO: Protecting proteins from feeling the heat. Biophysical Journal. 122: 1414-1422. PMID 36916005 DOI: 10.1016/j.bpj.2023.03.008 |
0.805 |
|
2022 |
Rickard MM, Luo H, De Lio A, Gruebele M, Pogorelov TV. Impact of the Cellular Environment on Adenosine Triphosphate Conformations. The Journal of Physical Chemistry Letters. 9809-9814. PMID 36228115 DOI: 10.1021/acs.jpclett.2c02375 |
0.774 |
|
2022 |
Gu W, Zheng Y, Pogorelov T, Nair SK, Schmidt EW. Control of Nucleophile Chemoselectivity in Cyanobactin YcaO Heterocyclases PatD and TruD. Acs Chemical Biology. PMID 35420020 DOI: 10.1021/acschembio.2c00147 |
0.288 |
|
2021 |
Lewandowska A, Soutar CP, Greenwood AI, Nimerovsky E, De Lio AM, Holler JT, Hisao GS, Khandelwal A, Zhang J, SantaMaria AM, Schwieters CD, Pogorelov TV, Burke MD, Rienstra CM. Fungicidal amphotericin B sponges are assemblies of staggered asymmetric homodimers encasing large void volumes. Nature Structural & Molecular Biology. 28: 972-981. PMID 34887566 DOI: 10.1038/s41594-021-00685-4 |
0.783 |
|
2021 |
Ramesh S, Guo X, DiCaprio AJ, De Lio AM, Harris LA, Kille BL, Pogorelov TV, Mitchell DA. Bioinformatics-Guided Expansion and Discovery of Graspetides. Acs Chemical Biology. 16: 2787-2797. PMID 34766760 DOI: 10.1021/acschembio.1c00672 |
0.761 |
|
2021 |
Hudson GA, Burkhart BJ, DiCaprio AJ, Schwalen CJ, Kille B, Pogorelov TV, Mitchell DA. Correction to "Bioinformatic Mapping of Radical -Adenosylmethionine-Dependent Ribosomally Synthesized and Post-Translationally Modified Peptides Identifies New Cα, Cβ, and Cγ-Linked Thioether-Containing Peptides". Journal of the American Chemical Society. PMID 34197098 DOI: 10.1021/jacs.1c06285 |
0.211 |
|
2021 |
Light TP, Gomez-Soler M, Wang Z, Karl K, Zapata-Mercado E, Gehring MP, Lechtenberg BC, Pogorelov TV, Hristova K, Pasquale EB. A Cancer Mutation Promotes EphA4 Oligomerization and Signaling by Altering the Conformation of the SAM Domain. The Journal of Biological Chemistry. 100876. PMID 34139238 DOI: 10.1016/j.jbc.2021.100876 |
0.273 |
|
2020 |
Song J, Malwal SR, Baig N, Schurig-Briccio LA, Gao Z, Vaidya GS, Yang K, Abutaleb NS, Seleem MN, Gennis RB, Pogorelov TV, Oldfield E, Feng X. Discovery of Prenyltransferase Inhibitors with and Antibacterial Activity. Acs Infectious Diseases. PMID 33085463 DOI: 10.1021/acsinfecdis.0c00472 |
0.233 |
|
2020 |
Rickard MM, Zhang Y, Pogorelov TV, Gruebele M. Crowding, Sticking, and Partial Folding of GTT WW Domain in a Small Cytoplasm Model. The Journal of Physical Chemistry. B. 124: 4732-4740. PMID 32463238 DOI: 10.1021/Acs.Jpcb.0C02536 |
0.706 |
|
2019 |
Wang Z, Fan H, Hu X, Khamo J, Diao J, Zhang K, Pogorelov TV. Coaction of Electrostatic and Hydrophobic Interactions: Dynamic Constraints on Disordered TrkA Juxtamembrane Domain. The Journal of Physical Chemistry. B. PMID 31751135 DOI: 10.1021/Acs.Jpcb.9B09352 |
0.514 |
|
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, 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 |
0.736 |
|
2019 |
Rickard MM, Zhang Y, Gruebele M, Pogorelov TV. In-Cell Protein-Protein Contacts: Transient Interactions in the Crowd. The Journal of Physical Chemistry Letters. 5667-5673. PMID 31483661 DOI: 10.1021/Acs.Jpclett.9B01556 |
0.802 |
|
2019 |
Hudson GA, Burkhart BJ, DiCaprio AJ, Schwalen C, Kille B, Pogorelov TV, Mitchell DA. Bioinformatic mapping of radical SAM-dependent RiPPs identifies new Cα, Cβ, and Cγ-linked thioether-containing peptides. Journal of the American Chemical Society. PMID 31059252 DOI: 10.1021/Jacs.9B01519 |
0.351 |
|
2019 |
Prigozhin MB, Zhang Y, Schulten K, Gruebele M, Pogorelov TV. Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics. Proceedings of the National Academy of Sciences of the United States of America. PMID 30837309 DOI: 10.1073/Pnas.1814927116 |
0.725 |
|
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 |
0.607 |
|
2018 |
Boob MM, Sukenik S, Pogorelov TV, Gruebele M. The Role of TMAO in Protein Folding: A Joint Experimental and Simulation Study Biophysical Journal. 114: 51a. DOI: 10.1016/J.Bpj.2017.11.332 |
0.607 |
|
2018 |
Hallock MJ, Golubeva YA, Pogorelov TV. Anionic Lipids Take Charge: Juxtamembrane Domain Interactions with Cellular Membrane Biophysical Journal. 114: 463a. DOI: 10.1016/J.Bpj.2017.11.2556 |
0.355 |
|
2017 |
Cogan DP, Hudson GA, Zhang Z, Pogorelov TV, van der Donk WA, Mitchell DA, Nair SK. Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis. Proceedings of the National Academy of Sciences of the United States of America. PMID 29158402 DOI: 10.1073/Pnas.1716035114 |
0.447 |
|
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 |
0.797 |
|
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 |
0.556 |
|
2016 |
Sukenik S, Pogorelov TV, Gruebele M. Can Local Probes Go Global? A Joint Experiment-Simulation Analysis of λ6-85 Folding. The Journal of Physical Chemistry Letters. PMID 27101436 DOI: 10.1021/Acs.Jpclett.6B00582 |
0.633 |
|
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 |
0.616 |
|
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 |
0.798 |
|
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 |
0.766 |
|
2015 |
Davis SA, Della Ripa LA, Hu L, Cioffi AG, Pogorelov TV, Rienstra CM, Burke MD. The C3-OH of Amphotericin B Plays an Important Role in Ion Conductance. Journal of the American Chemical Society. PMID 26580003 DOI: 10.1021/Jacs.5B05766 |
0.376 |
|
2015 |
Prigozhin MB, Chao SH, Sukenik S, Pogorelov TV, Gruebele M. Mapping fast protein folding with multiple-site fluorescent probes. Proceedings of the National Academy of Sciences of the United States of America. 112: 7966-71. PMID 26080403 DOI: 10.1073/Pnas.1422683112 |
0.661 |
|
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 |
0.781 |
|
2015 |
Anisimov VM, Hallock MJ, Pogorelov TV. CDD: Computational discovery desktop Acm International Conference Proceeding Series. 2015. DOI: 10.1145/2792745.2792788 |
0.21 |
|
2014 |
Goodman JS, Chao SH, Pogorelov TV, Gruebele M. Filling up the heme pocket stabilizes apomyoglobin and speeds up its folding. The Journal of Physical Chemistry. B. 118: 6511-8. PMID 24456280 DOI: 10.1021/Jp412459Z |
0.669 |
|
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 |
0.777 |
|
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 |
0.639 |
|
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 |
0.612 |
|
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 |
0.661 |
|
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 |
0.692 |
|
2009 |
Virshup AM, Punwong C, Pogorelov TV, Lindquist BA, Ko C, Martínez TJ. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics. The Journal of Physical Chemistry. B. 113: 3280-91. PMID 19090684 DOI: 10.1021/Jp8073464 |
0.757 |
|
2007 |
Pogorelov TV, Autenrieth F, Roberts E, Luthey-Schulten ZA. Cytochrome c(2) Exit Strategy: Dissociation Studies and Evolutionary Implications. The Journal of Physical Chemistry. B. 111: 618-34. PMID 17228920 DOI: 10.1021/Jp064973I |
0.725 |
|
2004 |
Pogorelov TV, Luthey-Schulten Z. Variations in the fast folding rates of the lambda-repressor: a hybrid molecular dynamics study. Biophysical Journal. 87: 207-14. PMID 15240458 DOI: 10.1529/Biophysj.104.042861 |
0.676 |
|
2002 |
Hardin C, Pogorelov TV, Luthey-Schulten Z. Ab initio protein structure prediction. Current Opinion in Structural Biology. 12: 176-81. PMID 11959494 DOI: 10.1016/S0959-440X(02)00306-8 |
0.675 |
|
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