The Roles of Entropy and Kinetics in Structure Prediction

por Bowman, Gregory R., Pande, Vijay S.
Publicado 2009

Extensive Conformational Heterogeneity within Protein Cores

por Bowman, Gregory R., Geissler, Phillip L.
Publicado 2014

Folding@home: achievements from over twenty years of citizen science herald the exascale era

por Voelz, Vincent A., Pande, Vijay S., Bowman, Gregory R.
Publicado 2023

Accelerating Cryptic Pocket Discovery Using AlphaFold

por Meller, Artur, Bhakat, Soumendranath, Solieva, Shahlo, Bowman, Gregory R.
Publicado 2023

Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function

por Topf, Maya, Rosta, Edina, Bowman, Gregory R., Bonomi, Massimiliano
Publicado 2021

Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

por Voelz, Vincent A., Luttmann, Edgar, Bowman, Gregory R., Pande, Vijay S.
Publicado 2009

Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding

por Sun, Xianqiang, Singh, Sukrit, Blumer, Kendall J, Bowman, Gregory R
Publicado 2018

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein

por Silva, Daniel-Adriano, Bowman, Gregory R., Sosa-Peinado, Alejandro, Huang, Xuhui
Publicado 2011

PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM

por Smith, Louis G., Novak, Borna, Osato, Meghan, Mobley, David L., Bowman, Gregory R.
Publicado 2023

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

por Porter, Justin R, Meller, Artur, Zimmerman, Maxwell I, Greenberg, Michael J, Bowman, Gregory R
Publicado 2020

Multiple conserved states characterize the twist landscape of the bacterial actin homolog MreB

por Knapp, Benjamin D., Ward, Michael D., Bowman, Gregory R., Shi, Handuo, Huang, Kerwyn Casey
Publicado 2022

Modelling proteins’ hidden conformations to predict antibiotic resistance

por Hart, Kathryn M., Ho, Chris M. W., Dutta, Supratik, Gross, Michael L., Bowman, Gregory R.
Publicado 2016

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

por Ward, Michael D., Zimmerman, Maxwell I., Meller, Artur, Chung, Moses, Swamidass, S. J., Bowman, Gregory R.
Publicado 2021

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

por Meller, Artur, de Oliveira, Saulo, Davtyan, Aram, Abramyan, Tigran, Bowman, Gregory R., van den Bedem, Henry
Publicado 2023

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

por Meller, Artur, De Oliveira, Saulo, Davtyan, Aram, Abramyan, Tigran, Bowman, Gregory R., van den Bedem, Henry
Publicado 2023

Structural Insight into RNA Hairpin Folding Intermediates

por Bowman, Gregory R., Huang, Xuhui, Yao, Yuan, Sun, Jian, Carlsson, Gunnar, Guibas, Leonidas J., Pande, Vijay S.
Publicado 2008

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2020

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2021

The nepenthesin insert in the Plasmodium falciparum aspartic protease plasmepsin V is necessary for enzyme function

por Polino, Alexander J., Miller, Justin J., Bhakat, Soumendranath, Mukherjee, Sumit, Bobba, Suhas, Bowman, Gregory R., Goldberg, Daniel E.
Publicado 2022

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators

por Hart, Kathryn M., Moeder, Katelyn E., Ho, Chris M. W., Zimmerman, Maxwell I., Frederick, Thomas E., Bowman, Gregory R.
Publicado 2017