Theo dõi
Gregory R. Bowman
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Everything you wanted to know about Markov State Models but were afraid to ask
VS Pande, K Beauchamp, GR Bowman
Methods 52 (1), 99-105, 2010
8202010
An introduction to markov state models and their application to long timescale molecular simulation
GR Bowman, VS Pande, F Noé
Springer, 2014
6502014
Molecular simulation of ab initio protein folding for a millisecond folder NTL9 (1− 39)
VA Voelz, GR Bowman, K Beauchamp, VS Pande
Journal of the American Chemical Society 132 (5), 1526-1528, 2010
6312010
Exploiting a natural conformational switch to engineer an interleukin-2/superkine/'
AM Levin, DL Bates, AM Ring, C Krieg, JT Lin, L Su, I Moraga, ME Raeber, ...
Nature 484 (7395), 529-533, 2012
5862012
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA
J Cubuk, JJ Alston, JJ Incicco, S Singh, MD Stuchell-Brereton, MD Ward, ...
Nature Communications 12 (1), 1-17, 2021
5652021
Progress and challenges in the automated construction of Markov state models for full protein systems
GR Bowman, KA Beauchamp, G Boxer, VS Pande
The Journal of chemical physics 131, 124101, 2009
4812009
Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ...
Nature Chemistry 6 (1), 15-21, 2014
4612014
MSMBuilder2: modeling conformational dynamics on the picosecond to millisecond scale
KA Beauchamp, GR Bowman, TJ Lane, L Maibaum, IS Haque, VS Pande
Journal of chemical theory and computation 7 (10), 3412-3419, 2011
4312011
Using generalized ensemble simulations and Markov state models to identify conformational states
GR Bowman, X Huang, VS Pande
Methods 49 (2), 197-201, 2009
3532009
Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15
AM Ring, JX Lin, D Feng, S Mitra, M Rickert, GR Bowman, VS Pande, P Li, ...
Nature immunology 13 (12), 1187-1195, 2012
2992012
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ...
Nature chemistry 13 (7), 651-659, 2021
292*2021
Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites
GR Bowman, PL Geissler
Proceedings of the National Academy of Sciences 109 (29), 11681-11686, 2012
2752012
Enhanced modeling via network theory: Adaptive sampling of markov state models
GR Bowman, DL Ensign, VS Pande
Journal of Chemical Theory and Computation 6 (3), 787-794, 2010
2602010
Protein folded states are kinetic hubs
GR Bowman, VS Pande
Proceedings of the National Academy of Sciences 107 (24), 10890-10895, 2010
2582010
A role for both conformational selection and induced fit in ligand binding by the LAO protein
DA Silva, GR Bowman, A Sosa-Peinado, X Huang
PLoS Comput Biol 7 (5), e1002054, 2011
2462011
Discovery of multiple hidden allosteric sites by combining Markov state models and experiments
GR Bowman, ER Bolin, KM Hart, BC Maguire, S Marqusee
Proceedings of the National Academy of Sciences 112 (9), 2734-2739, 2015
2212015
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell stem cell 29 (2), 217-231. e8, 2022
2202022
Taming the complexity of protein folding
GR Bowman, VA Voelz, VS Pande
Current opinion in structural biology 21 (1), 4-11, 2011
2102011
Markov state model reveals folding and functional dynamics in ultra-long MD trajectories
TJ Lane, GR Bowman, K Beauchamp, VA Voelz, VS Pande
Journal of the American Chemical Society 133 (45), 18413-18419, 2011
2072011
Dynamics of an intrinsically disordered protein reveal metastable conformations that potentially seed aggregation
Q Qiao, GR Bowman, X Huang
Journal of the American Chemical Society 135 (43), 16092-16101, 2013
1972013
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