Fig. 9. The by solvent accessible surface area (SASA) of the protein–ligand complex was calculated from 150 ns simulation. The SASA value of the selected four compounds CID: 70825, CID: 25247358, CID: 54685836, and CID: 1983 in complex with the SARS-CoV-2 Mpro represented by a blue, orange, red, and yellow color, respectively.
