The roles of entropy and kinetics in structure prediction. by Gregory R Bowman, Vijay S Pande

Get full text

Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding by Xianqiang Sun, Sukrit Singh, Kendall J Blumer, Gregory R Bowman

Get full text

A role for both conformational selection and induced fit in ligand binding by the LAO protein. by Daniel-Adriano Silva, Gregory R Bowman, Alejandro Sosa-Peinado, Xuhui Huang

Get full text

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties by Justin R Porter, Artur Meller, Maxwell I Zimmerman, Michael J Greenberg, Gregory R Bowman

Get full text

Multiple conserved states characterize the twist landscape of the bacterial actin homolog MreB by Benjamin D. Knapp, Michael D. Ward, Gregory R. Bowman, Handuo Shi, Kerwyn Casey Huang

Get full text

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets by Michael D. Ward, Maxwell I. Zimmerman, Artur Meller, Moses Chung, S. J. Swamidass, Gregory R. Bowman

Get full text

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators. by Kathryn M Hart, Katelyn E Moeder, Chris M W Ho, Maxwell I Zimmerman, Thomas E Frederick, Gregory R Bowman

Get full text

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network by Artur Meller, Michael Ward, Jonathan Borowsky, Meghana Kshirsagar, Jeffrey M. Lotthammer, Felipe Oviedo, Juan Lavista Ferres, Gregory R. Bowman

Get full text

The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment by Zhou Huang, Hejun Liu, Jay Nix, Rui Xu, Catherine R. Knoverek, Gregory R. Bowman, Gaya K. Amarasinghe, L. David Sibley

Get full text

Bladder-cancer-associated mutations in RXRA activate peroxisome proliferator-activated receptors to drive urothelial proliferation by Angela M Halstead, Chiraag D Kapadia, Jennifer Bolzenius, Clarence E Chu, Andrew Schriefer, Lukas D Wartman, Gregory R Bowman, Vivek K Arora

Get full text

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors by Artur Meller, Artur Meller, Saulo De Oliveira, Aram Davtyan, Tigran Abramyan, Gregory R. Bowman, Henry van den Bedem, Henry van den Bedem

Get full text

Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models by Maxwell I. Zimmerman, Kathryn M. Hart, Carrie A. Sibbald, Thomas E. Frederick, John R. Jimah, Catherine R. Knoverek, Niraj H. Tolia, Gregory R. Bowman

Get full text

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains by Artur Meller, Jeffrey M Lotthammer, Louis G Smith, Borna Novak, Lindsey A Lee, Catherine C Kuhn, Lina Greenberg, Leslie A Leinwand, Michael J Greenberg, Gregory R Bowman

Get full text

A cryptic pocket in Ebola VP35 allosterically controls RNA binding by Matthew A. Cruz, Thomas E. Frederick, Upasana L. Mallimadugula, Sukrit Singh, Neha Vithani, Maxwell I. Zimmerman, Justin R. Porter, Katelyn E. Moeder, Gaya K. Amarasinghe, Gregory R. Bowman

Get full text

The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target by Wenjie Wang, Woo-Jin Shin, Bojie Zhang, Younho Choi, Ji-Seung Yoo, Maxwell I. Zimmerman, Thomas E. Frederick, Gregory R. Bowman, Michael L. Gross, Daisy W. Leung, Jae U. Jung, Gaya K. Amarasinghe

Get full text