Computational assessment of select antiviral phytochemicals as potential SARS-Cov-2 main protease inhibitors: molecular dynamics guided ensemble docking and extended molecular dynamics.
Sanjay SawantRajesh B PatilManoj KhawateVishal ZambreVaibhav ShilimkarSuresh JagtapPublished in: In silico pharmacology (2021)
The online version contains supplementary material available at 10.1007/s40203-021-00107-9.