Gregory R. Bowman, Ph.D.

Assistant Professor

Biochemistry and Molecular Biophysics

Lab Website
Publications (PubMed / NIH)

Office: 2915 South Building
Phone: 314-362-7433
Email: g.bowman(at)


We combine simulation and experiment to understand protein conformational changes, their role in signaling, and opportunities they present for drug design. For example, the movie shows the opening of an unexpected binding pocket that we have demonstrated may be a valuable drug target for combating antibiotic resistance. We are also interested in understanding the roles such conformational changes play in signaling cascades, such as those responsible for vision.


Select Publications

Zimmerman M.I., Hart K.M., Sibbald C.A., Frederick T.E., Jimah J.R., Knoverek C.R., Tolia N.H., & Bowman G.R. (2017). “Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.” ACS Cent Sci. 2017 Dec 27;3(12):1311-1321. doi: 10.1021/acscentsci.7b00465. Epub 2017 Nov 21. (Abstract)

Niu H., Fujiwara H., di Martino O., Hadwiger G., Frederick T.E., Menéndez-Gutiérrez M.P., Ricote M., Bowman G.R., & Welch J.S. (2017). “Endogenous retinoid X receptor ligands in mouse hematopoietic cells.” Sci Signal. 2017 Oct 31;10(503). pii: eaan1011. doi: 10.1126/scisignal.aan1011. (Abstract)

Patrick G.J., Fang L., Schaefer J., Singh S., Bowman G.R., & Wencewicz T.A. (2017). “Mechanistic Basis for ATP-Dependent Inhibition of Glutamine Synthetase by Tabtoxinine-β-lactam.” Biochemistry. 2018 Jan 9;57(1):117-135. doi: 10.1021/acs.biochem.7b00838. Epub 2017 Oct 31. (Abstract)

Hart K.M., Moeder K.E., Ho C.M.W., Zimmerman M.I., Frederick T.E., and Bowman G.R.
Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators.
PLoS One. 12(6):e0178678. doi: 10.1371/journal.pone.0178678. eCollection. (2017) (Abstract)

Sukrit Singh and Gregory R. Bowman
Quantifying allosteric communication via both concerted structural changes and conformational disorder with CARDS
J Chem Theory Comput. 13(4):1509-1517. doi: 10.1021/acs.jctc.6b01181. (2017) (Abstract)

Sun X., Laroche G., Wang X., Ågren H., Bowman G.R., Giguère P.M., and Tu Y.
Propagation of the Allosteric Modulation Induced by Sodium in the δ-Opioid Receptor.
Chemistry 23(19):4615-4624 (2017) (Abstract)

Brosey C.A., Ho C., Long W.Z., Singh S., Burnett K., Hura G.L., Nix J.C., Bowman G.R., Ellenberger T., & Tainer J.A. (2016). “Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor” Structure. 2016 Dec 6;24(12):2067-2079. doi: 10.1016/j.str.2016.09.012. Epub 2016 Nov 3. (Abstract)

Shen G., Cui W., Zhang H., Zhou F., Huang W., Liu Q., Yang Y., Li S., Bowman G.R., Sadler J.E., Gross M.L., and Li W.
Warfarin traps human vitamin K epoxide reductase in an intermediate state during electron transfer.
Nat Struct Mol Biol. 24(1):69-76. (2017). (Abstract)
Featured in News and Views, Nature Structural & Molecular Biology 24, 5–6. (2017)

Kathryn M. Hart, Chris M. W. Ho, Supratik Dutta, Michael L. Gross & Gregory R. Bowman
Modelling proteins’ hidden conformations to predict antibiotic resistance
Nature Communications 7, Article number: 12965 (2016) (Abstract)

Pascolutti, R., Sun, X., Kao, J., Maute, R., Ring, A.M., Bowman, G.R. and Kruse, A.C.
Structure and Dynamics of PD-L1 and an Ultra High-Affinity PD-1 Receptor Mutant.
Structure. Oct 4;24(10):1719-1728 (2016) (Abstract)