Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
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DOI: 10.1021/acs.jcim.0c01030
Abstract: The main protease (Mpro) of the SARS-CoV-2 virus is one focus of drug development efforts for COVID-19. Here, we show that interactive molecular dynamics in virtual reality (iMD-VR) is a useful and effective tool for… read more here.
Keywords: dynamics virtual; molecular dynamics; interactive molecular; virtual reality ... See more keywords