Bowman GR - Search Results

1

Computing and optimizing over all fixed-points of discrete systems on large networks.

Riehl JR, Zimmerman MI, Singh MF, Bowman GR, Ching S. Riehl JR, et al. Among authors: bowman gr. J R Soc Interface. 2020 Sep;17(170):20200126. doi: 10.1098/rsif.2020.0126. Epub 2020 Sep 9. J R Soc Interface. 2020. PMID: 32900299 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

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.

5

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.

6

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.

7

Enspara: Modeling molecular ensembles with scalable data structures and parallel computing.

Porter JR, Zimmerman MI, Bowman GR. Porter JR, et al. Among authors: bowman gr. J Chem Phys. 2019 Jan 28;150(4):044108. doi: 10.1063/1.5063794. J Chem Phys. 2019. PMID: 30709308 Free PMC article.

8

Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling.

Porter JR, Moeder KE, Sibbald CA, Zimmerman MI, Hart KM, Greenberg MJ, Bowman GR. Porter JR, et al. Among authors: bowman gr. Biophys J. 2019 Mar 5;116(5):818-830. doi: 10.1016/j.bpj.2018.11.3144. Epub 2019 Jan 25. Biophys J. 2019. PMID: 30744991 Free PMC article.

9

The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.

Wang W, Shin WJ, Zhang B, Choi Y, Yoo JS, Zimmerman MI, Frederick TE, Bowman GR, Gross ML, Leung DW, Jung JU, Amarasinghe GK. Wang W, et al. Among authors: bowman gr. Cell Rep. 2020 Jan 7;30(1):153-163.e5. doi: 10.1016/j.celrep.2019.12.020. Cell Rep. 2020. PMID: 31914382 Free PMC article.

10

Spatial and temporal alterations in protein structure by EGF regulate cryptic cysteine oxidation.

Behring JB, van der Post S, Mooradian AD, Egan MJ, Zimmerman MI, Clements JL, Bowman GR, Held JM. Behring JB, et al. Among authors: bowman gr. Sci Signal. 2020 Jan 21;13(615):eaay7315. doi: 10.1126/scisignal.aay7315. Sci Signal. 2020. PMID: 31964804 Free PMC article.

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