Bowman GR - Search Results

1

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

Vithani N, Ward MD, Zimmerman MI, Novak B, Borowsky JH, Singh S, Bowman GR. Vithani N, et al. Among authors: bowman gr. Biophys J. 2021 Jul 20;120(14):2880-2889. doi: 10.1016/j.bpj.2021.03.024. Epub 2021 Mar 29. Biophys J. 2021. PMID: 33794150 Free PMC article.

2

FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs.

Zimmerman MI, Bowman GR. Zimmerman MI, et al. Among authors: bowman gr. J Chem Theory Comput. 2015 Dec 8;11(12):5747-57. doi: 10.1021/acs.jctc.5b00737. Epub 2015 Nov 20. J Chem Theory Comput. 2015. PMID: 26588361

3

How to Run FAST Simulations.

Zimmerman MI, Bowman GR. Zimmerman MI, et al. Among authors: bowman gr. Methods Enzymol. 2016;578:213-25. doi: 10.1016/bs.mie.2016.05.032. Epub 2016 Jun 16. Methods Enzymol. 2016. PMID: 27497168 Review.

4

Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.

Brosey CA, Ho C, Long WZ, Singh S, Burnett K, Hura GL, Nix JC, Bowman GR, Ellenberger T, Tainer JA. Brosey CA, et al. Among authors: bowman gr. Structure. 2016 Dec 6;24(12):2067-2079. doi: 10.1016/j.str.2016.09.012. Epub 2016 Nov 3. Structure. 2016. PMID: 27818101 Free PMC article.

5

Quantifying Allosteric Communication via Both Concerted Structural Changes and Conformational Disorder with CARDS.

Singh S, Bowman GR. Singh S, et al. Among authors: bowman gr. J Chem Theory Comput. 2017 Apr 11;13(4):1509-1517. doi: 10.1021/acs.jctc.6b01181. Epub 2017 Mar 22. J Chem Theory Comput. 2017. PMID: 28282132 Free PMC article.

6

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

Hart KM, Moeder KE, Ho CMW, Zimmerman MI, Frederick TE, Bowman GR. Hart KM, et al. Among authors: bowman gr. PLoS One. 2017 Jun 1;12(6):e0178678. doi: 10.1371/journal.pone.0178678. eCollection 2017. PLoS One. 2017. PMID: 28570708 Free PMC article.

7

Mechanistic Basis for ATP-Dependent Inhibition of Glutamine Synthetase by Tabtoxinine-β-lactam.

Patrick GJ, Fang L, Schaefer J, Singh S, Bowman GR, Wencewicz TA. Patrick GJ, et al. Among authors: bowman gr. Biochemistry. 2018 Jan 9;57(1):117-135. doi: 10.1021/acs.biochem.7b00838. Epub 2017 Oct 31. Biochemistry. 2018. PMID: 29039929 Free PMC article.

8

Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.

Zimmerman MI, Hart KM, Sibbald CA, Frederick TE, Jimah JR, Knoverek CR, Tolia NH, Bowman GR. Zimmerman MI, et al. Among authors: bowman gr. ACS Cent Sci. 2017 Dec 27;3(12):1311-1321. doi: 10.1021/acscentsci.7b00465. Epub 2017 Nov 21. ACS Cent Sci. 2017. PMID: 29296672 Free PMC article.

9

Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes.

Zimmerman MI, Porter JR, Sun X, Silva RR, Bowman GR. Zimmerman MI, et al. Among authors: bowman gr. J Chem Theory Comput. 2018 Nov 13;14(11):5459-5475. doi: 10.1021/acs.jctc.8b00500. Epub 2018 Oct 23. J Chem Theory Comput. 2018. PMID: 30240203 Free PMC article.

10

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

Sun X, Singh S, Blumer KJ, Bowman GR. Sun X, et al. Among authors: bowman gr. Elife. 2018 Oct 5;7:e38465. doi: 10.7554/eLife.38465. Elife. 2018. PMID: 30289386 Free PMC article.

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