Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Energy per residue of SARS‐CoV‐2‐Mpro‐drug (darunavir in red color), SARS‐CoV‐2‐Mpro‐Marine‐1 (manzamine A in blue color) and SARS‐CoV‐2‐Mpro‐Marine‐2 (8‐hydroxymanzamine in green color) docking complexes have been recorded through the MM/PBSA binding energy calculation method with PRODRG‐derived topology files at 100 ns MD simulation
