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SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.
Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0. Epub 2021 May 24. Nat Chem. 2021. PMID: 34031561 Free PMC article.
How to Run FAST Simulations.
Zimmerman MI, Bowman GR. Zimmerman MI, et al. Methods Enzymol. 2016;578:213-25. doi: 10.1016/bs.mie.2016.05.032. Epub 2016 Jun 16. Methods Enzymol. 2016. PMID: 27497168 Review.
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: zimmerman mi. 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.
34 results