Department of Biochemistry and Molecular Biophysics

Gregory R. Bowman, Ph.D.

Associate Professor

Biochemistry and Molecular Biophysics

Lab Website
Publications (PubMed / NIH)

Office: 2915 South Building
Phone: 314-362-7433
Email: g.bowman@wustl.edu
 

Research

The Bowman Lab seeks to understand the distribution of different structures a protein adopts and how this ensemble determines a proteins function. Examples of ongoing research projects include 1) understanding how mutations in the enzyme beta-lactamase change its specificity without changing the protein’s crystal structure, 2) designing allosteric drugs, and 3) developing algorithms for quickly building models of the different structures a protein adopts.

Select Publications

Maya Topf, Edina Rosta, Gregory R. Bowman, & Massimiliano Bonomi (2021). “Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function” Front Mol Biosci. 2021 Nov 29;8:799406. doi: 10.3389/fmolb.2021.799406. eCollection 2021. (Abstract)

Neha Vithani, Michael D. Ward, Maxwell I. Zimmerman, Borna Novak, Jonathan H. Borowsky, Sukrit Singh, & Gregory R. Bowman (2021). “SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential” Biophys J. 2021 Jul 20;120(14):2880-2889. doi: 10.1016/j.bpj.2021.03.024. Epub 2021 Mar 29. (Abstract)

Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan H. Borowsky, Rafal P. Wiewiora, Matthew F. D. Hurley, Aoife M. Harbison, Carl A. Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, & Gregory R. Bowman (2021). “SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome” Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0. Epub 2021 May 24. (Abstract)

Michael D. Ward, Maxwell I. Zimmerman, Artur Meller, Moses Chung, S. J. Swamidass, & Gregory R. Bowman (2021). “Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets” Nat Commun. 2021 May 21;12(1):3023. doi: 10.1038/s41467-021-23246-1. (Abstract)

Jasmine Cubuk, Jhullian J. Alston, J. Jeremías Incicco, Sukrit Singh, Melissa D. Stuchell-Brereton, Michael D. Ward, Maxwell I. Zimmerman, Neha Vithani, Daniel Griffith, Jason A. Wagoner, Gregory R. Bowman, Kathleen B. Hall, Andrea Soranno, & Alex S. Holehouse. (2021). “The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA” Nat Commun. 2021 Mar 29;12(1):1936. doi: 10.1038/s41467-021-21953-3. (Abstract)

Jessica B. Behring, Sjoerd van der Post, Arshag D. Mooradian, Matthew J. Egan, Maxwell I. Zimmerman, Jenna L. Clements, Gregory R. Bowman, & Jason M. Held (2021). “Spatial and temporal alterations in protein structure by EGF regulate cryptic cysteine oxidation” Sci Signal. 2020 Jan 21;13(615):eaay7315. doi: 10.1126/scisignal.aay7315. (Abstract)

Meghana Kshirsagar, Nure Tasnina, Michael D. Ward, Jeffrey N. Law, T. M. Murali, Juan M. Lavista Ferres, Gregory R. Bowman, & Judith Klein-Seetharaman (2020). “Protein sequence models for prediction and comparative analysis of the SARS-CoV-2 -human interactome” Pac Symp Biocomput. 2021;26:154-165. (Abstract)

James R. Riehl, Maxwell I. Zimmerman, Matthew F. Singh, Gregory R. Bowman, & ShiNung Ching (2020). “Computing and Optimizing Over All Fixed-Points of Discrete Systems on Large Networks” J R Soc Interface. 2020 Sep;17(170):20200126. doi: 10.1098/rsif.2020.0126. Epub 2020 Sep 9. (Abstract)

Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan H. Borowsky, Rafal P. Wiewiora, Matthew F. D. Hurley, Aoife M. Harbison, Carl A. Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, & Gregory R. Bowman (2020). “Citizen Scientists Create an Exascale Computer to Combat COVID-19” bioRxiv. 2020 Jun 28;2020.06.27.175430. doi: 10.1101/2020.06.27.175430. Preprint (Abstract)

Justin R. Porter, Artur Meller, Maxwell I. Zimmerman, Michael J. Greenberg, & Gregory R. Bowman (2020). “Conformational Distributions of Isolated Myosin Motor Domains Encode Their Mechanochemical Properties” Elife. 2020 May 29;9:e55132. doi: 10.7554/eLife.55132. (Abstract)

Brown C.A., Hu L., Sun Z., Patel M.P., Singh S., Porter J.R., Sankaran B., Prasad B.V.V., Bowman G.R., & Palzkill T. (2020). “Antagonism between substitutions in β-lactamase explains a path not taken in the evolution of bacterial drug resistance.” J Biol Chem. 2020 Apr 16. pii: jbc.RA119.012489. doi: 10.1074/jbc.RA119.012489. [Epub ahead of print] (Abstract)

Antonija Kuzmanic, Gregory R. Bowman, Jordi Juarez-Jimenez, Julien Michel, & Francesco L. Gervasio (2020). “Investigating Cryptic Binding Sites by Molecular Dynamics Simulations” Acc Chem Res. 2020 Mar 17;53(3):654-661. doi: 10.1021/acs.accounts.9b00613. Epub 2020 Mar 5. (Abstract)

Matthew A. Cruz, Thomas E. Frederick, Sukrit Singh, Neha Vithani, Maxwell I. Zimmerman, Justin R. Porter, Katelyn E. Moeder, Gaya K. Amarasinghe, & Gregory R. Bowman (2020). “Discovery of a cryptic allosteric site in Ebola’s ‘undruggable’ VP35 protein using simulations and experiments” bioRxiv. doi: https://doi.org/10.1101/2020.02.09.940510 (Abstract)

Porter J.R., Moeder K.E., Sibbald C.A., Zimmerman M.I., Hart K.M., Greenberg M.J., & Bowman G.R. (2019). “Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling.” Biophys J. 2019 Mar 5;116(5):818-830. doi: 10.1016/j.bpj.2018.11.3144. Epub 2019 Jan 25. (Abstract)

Porter J.R., Zimmerman M.I., & Bowman G.R. (2019). “Enspara: Modeling molecular ensembles with scalable data structures and parallel computing.” J Chem Phys. 2019 Jan 28;150(4):044108. doi: 10.1063/1.5063794. (Abstract)