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Pinpointing the potential hits for hindering interaction of SARS-CoV-2 S-protein with ACE2 from the pool of antiviral phytochemicals utilizing molecular docking and molecular dynamics (MD) simulations.
Patel CN, Goswami D, Jaiswal DG, Parmar RM, Solanki HA, Pandya HA. Patel CN, et al. Among authors: pandya ha. J Mol Graph Model. 2021 Jun;105:107874. doi: 10.1016/j.jmgm.2021.107874. Epub 2021 Feb 22. J Mol Graph Model. 2021. PMID: 33647752 Free PMC article.
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