Abstract
The
main protease (Mpro) of the SARS-CoV-2 virus is one focus of drug development
efforts for antivirals to combat COVID-19. Here, we show that interactive molecular
dynamics in virtual reality (iMD-VR) is a useful and effective tool for
predicting structures of Mpro-ligand complexes.
Supplementary materials
Title
Inhibitor Substrate SARS CoV2 IMD VR Docking ESI
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