• University of Connecticut (2015)

  • Computational and Systems Biology

  • Gregory R. Bowman, Ph.D.

  • Development of Adaptive Sampling Algorithms

  • mdward@wustl.edu

Graduate Publications:

Cubuk J, Alston JJ, Incicco JJ, Singh S, Stuchell-Brereton MD, Ward MD, Zimmerman MI, Vithani N, Griffith D, Wagoner JA, Bowman GR, Hall KB, Soranno A, Holehouse AS. 2021 The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA. Nat Commun, 12(1):1936.

Vithani N, Ward MD, Zimmerman MI, Novak B, Borowsky JH, Singh S, Bowman GR. 2021 SARS-CoV2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential. Biophys J, ():S0006-3495(21)00254-X.

Ward MD, Zimmerman MI, Meller A, Chung M, Swamidass SJ, Bowman GR. 2021 Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets. Nat Commun, 12(1):3023.

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. 2021 SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome. Nat Chem, 13(7):651-59.

Flynn NR, Ward MD, Schleiff MA, Laurin CMC, Farmer R, Conway SJ, Boysen G, Swamidass SJ, Miller GP. 2021 Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors. Metabolites, 11(6):390.

Malik M, Ward MD, Fang Y, Porter JR, Zimmerman MI, Koelblen T, Roh M, Frolova AI, Burris TP, Bowman GR, Imoukhuede PI, England SK. 2021 Naturally Occurring Genetic Variants in the Oxytocin Receptor Alter Receptor Signaling Profiles. ACS Pharmacol Transl Sci, 4(5):1543-55.

Flynn NR, Dang NL, Ward MD, Swamidass SJ. 2020 XenoNet: Inference and Likelihood of Intermediate Metabolite Formation. J Chem Inf Model, ():Online ahead of print.

Last Updated: 8/30/2017 8:38:05 PM

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