Taras Pogorelov
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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
Ab initio protein structure prediction
C Hardin, TV Pogorelov, Z Luthey-Schulten
Current opinion in structural biology 12 (2), 176-181, 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
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
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
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
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
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
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
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
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
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
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
Protein-Phospholipid interactions in blood clotting
JH Morrissey, RL Davis-Harrison, N Tavoosi, K Ke, V Pureza, ...
Thrombosis research 125, S23-S25, 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
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
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
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
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
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
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