Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics† AM Virshup, C Punwong, TV Pogorelov, BA Lindquist, C Ko, TJ Martínez The Journal of Physical Chemistry B 113 (11), 3280-3291, 2008 | 295 | 2008 |
Ab initio protein structure prediction C Hardin, TV Pogorelov, Z Luthey-Schulten Current opinion in structural biology 12 (2), 176-181, 2002 | 260 | 2002 |
Bioinformatic Mapping of Radical S-Adenosylmethionine-Dependent Ribosomally Synthesized and Post-Translationally Modified Peptides Identifies New Cα, Cβ, and Cγ-Linked … GA Hudson, BJ Burkhart, AJ DiCaprio, CJ Schwalen, B Kille, ... Journal of the American Chemical Society 141 (20), 8228-8238, 2019 | 143 | 2019 |
Atoms to phenotypes: molecular design principles of cellular energy metabolism A Singharoy, C Maffeo, KH Delgado-Magnero, DJK Swainsbury, M Sener, ... Cell 179 (5), 1098-1111, 2019 | 139 | 2019 |
Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model YZ Ohkubo, TV Pogorelov, MJ Arcario, GA Christensen, E Tajkhorshid Biophysical Journal 102 (9), 2130-2139, 2012 | 136 | 2012 |
Molecular determinants of phospholipid synergy in blood clotting N Tavoosi, RL Davis-Harrison, TV Pogorelov, YZ Ohkubo, MJ Arcario, ... Journal of Biological Chemistry 286 (26), 23247-23253, 2011 | 126 | 2011 |
CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model Y Qi, X Cheng, J Lee, JV Vermaas, TV Pogorelov, E Tajkhorshid, S Park, ... Biophysical Journal 109 (10), 2012-2022, 2015 | 97 | 2015 |
Structural insights into enzymatic [4+ 2] aza-cycloaddition in thiopeptide antibiotic biosynthesis DP Cogan, GA Hudson, Z Zhang, TV Pogorelov, WA van der Donk, ... Proceedings of the National Academy of Sciences 114 (49), 12928-12933, 2017 | 75 | 2017 |
Partitioning of Amino Acids into a Model Membrane: Capturing the Interface TV Pogorelov, JV Vermaas, MJ Arcario, E Tajkhorshid The Journal of Physical Chemistry B 118 (6), 1481-1492, 2014 | 55 | 2014 |
Atomic-level description of protein–lipid interactions using an accelerated membrane model JL Baylon, JV Vermaas, MP Muller, MJ Arcario, TV Pogorelov, ... Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1573-1583, 2016 | 45 | 2016 |
In-Cell Protein–Protein Contacts: Transient Interactions in the Crowd MM Rickard, Y Zhang, M Gruebele, TV Pogorelov The journal of physical chemistry letters 10 (18), 5667-5673, 2019 | 43 | 2019 |
Variations in the Fast Folding Rates of the [lambda]-Repressor: A Hybrid Molecular Dynamics Study TV Pogorelov, Z Luthey-Schulten Biophysical journal 87 (1), 207-214, 2004 | 40 | 2004 |
Efficient exploration of membrane-associated phenomena at atomic resolution JV Vermaas, JL Baylon, MJ Arcario, MP Muller, Z Wu, TV Pogorelov, ... The Journal of membrane biology 248, 563-582, 2015 | 35 | 2015 |
Protein-Phospholipid interactions in blood clotting JH Morrissey, RL Davis-Harrison, N Tavoosi, K Ke, V Pureza, ... Thrombosis research 125, S23-S25, 2010 | 35 | 2010 |
Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form KK Skeby, OJ Andersen, TV Pogorelov, E Tajkhorshid, B Schiøtt Biochemistry 55 (13), 2031-2042, 2016 | 33 | 2016 |
Bioinformatics-Guided Expansion and Discovery of Graspetides S Ramesh, X Guo, AJ DiCaprio, AM De Lio, LA Harris, BL Kille, ... ACS chemical biology 16 (12), 2787-2797, 2021 | 32 | 2021 |
Cytochrome c2 exit strategy: Dissociation studies and evolutionary implications TV Pogorelov, F Autenrieth, E Roberts, ZA Luthey-Schulten The Journal of Physical Chemistry B 111 (3), 618-634, 2007 | 28 | 2007 |
Mapping fast protein folding with multiple-site fluorescent probes MB Prigozhin, SH Chao, S Sukenik, TV Pogorelov, M Gruebele Proceedings of the National Academy of Sciences 112 (26), 7966-7971, 2015 | 27 | 2015 |
Crowding, Sticking, and Partial Folding of GTT WW Domain in a Small Cytoplasm Model MM Rickard, Y Zhang, TV Pogorelov, M Gruebele The Journal of Physical Chemistry B 124 (23), 4732-4740, 2020 | 24 | 2020 |
C3-OH of Amphotericin B Plays an Important Role in Ion Conductance SA Davis, LA Della Ripa, L Hu, AG Cioffi, TV Pogorelov, CM Rienstra, ... Journal of the American Chemical Society 137 (48), 15102-15104, 2015 | 23 | 2015 |