Figure 4.
Short range energy evaluation between the protein and the hit molecules. (A) The short range Coulombic and Lennard-Jones interaction energy of C1 interacting with amino acid residue at Mpro active site. (B) The short range Coulombic and Lennard-Jones interaction energy of C2 interacting with amino acid residue at Mpro active site. (C) The short range Coulombic and Lennard-Jones interaction energy of lopinavir interacting with amino acid residue at Mpro active site. Coulombic and Lennard-Jones short range (SR) interaction energy are shown in orange and green color.