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Journal of the American Chemical Society|January 16, 2003
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillinNatalia Díaz, Tomás L Sordo, Kenneth M Merz, et al.Journal of Computer-Aided Molecular Design|August 26, 2018
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challengeLin Frank Song, Nupur Bansal, Zheng Zheng, et al.Journal of Chemical Theory and Computation|June 9, 2020
Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsZhen Li, Lin Frank Song, Pengfei Li, et al.Proteins|August 18, 2010
Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenaseLuciana Capece, Mehrnoosh Arrar, Adrian E Roitberg, et al.Journal of Chemical Theory and Computation|September 15, 2017
Improved Accuracy for Constant pH-REMD Simulations through Modification of Carboxylate Effective RadiiAndrew V Yeager, Jason M Swails, Bill R MillerJournal of Molecular Graphics & Modelling|June 3, 2017
Design and computational support for the binding stability of a new CCR5/CXCR4 dual tropic inhibitor: Computational design of a CCR5/CXCR4 drugCooper A Taylor, Bill R Miller, Carol A ParishJournal of the American Society for Mass Spectrometry|April 19, 2017
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical ModelingChristopher D Chouinard, Vinícius Wilian D Cruzeiro, Christopher R Beekman, et al.Journal of Biomolecular Structure & Dynamics|February 11, 2026
Molecular dynamics of the pathogenic KCNQ2 variant G256W reveals mechanisms of channel dysfunction in epileptic encephalopathyEmma C Thompson, Edward C Cooper, Bill R MillerPlos Computational Biology|December 5, 2014
Molecular dynamics study of the opening mechanism for DNA polymerase IBill R Miller, Carol A Parish, Eugene Y WuDevelopmental Dynamics : an Official Publication of the American Association of Anatomists|May 11, 2022
Alleles of unc-33/CRMP exhibit defects during Caenorhabditis elegans epidermal morphogenesisRachel Prins, Peter Windsor, Bill R Miller, et al.Pageof 37