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)
Knoverek C.R., Amarasinghe G.K., & Bowman G.R. (2018). “Advanced Methods for Accessing Protein Shape-Shifting Present New Therapeutic Opportunities.” Trends Biochem Sci. 2019 Apr;44(4):351-364. doi: 10.1016/j.tibs.2018.11.007. Epub 2018 Dec 14. (Abstract)
Zimmerman M.I., Porter J.R., Sun X., Silva R.R., & Bowman G.R. (2018). “Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes.” J Chem Theory Comput. 2018 Nov 13;14(11):5459-5475. doi: 10.1021/acs.jctc.8b00500. Epub 2018 Oct 23. (Abstract)
Sun X., Singh S., Blumer K.J., & Bowman G.R. (2018). “Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding.” Elife. 2018 Oct 5;7. pii: e38465. doi: 10.7554/eLife.38465. (Abstract)
Justin R Porter, Katelyn E Moeder, Carrie A Sibbald, Maxwell I Zimmerman, Kathryn M Hart, Michael J Greenberg, & Gregory R Bowman (2018). “Cooperative changes in solvent exposure identify cryptic pockets, conformational switches, and allosteric coupling” bioRxiv. September 18, 2018. doi.org/10.1101/323568. (Abstract)
Su Z., Wu C., Shi L., Luthra P., Pintilie G.D., Johnson B., Porter J.R., Ge P., Chen M., Liu G., Frederick T.E., Binning J.M., Bowman G.R., Zhou Z.H., Basler C.F., Gross M.L., Leung D.W., Chiu W., & Amarasinghe G.K. (2018). “Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.” Cell. 2018 Feb 22;172(5):966-978.e12. doi: 10.1016/j.cell.2018.02.009. (Abstract)