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. 2020 Jul 22:1–14. doi: 10.1080/07391102.2020.1796802

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Figure 4. — Molecular dynamic simulations of selected final candidates against 3CLp (a) RMSD plot; (b) RMSD plot of ligand backbone (vs.) protein backbone; (c) average energy per residue plot indicating the energies of interacting residue of lopinavir (LOP), tipranavir (TIP), nelfinavir (NEL), licochalcone (LIC) and, wedelolactone (WED); (d) average of H-bonds throughout the trajectory of 3CLp complexes; (e) binding energy of 3CLp complexes obtained from MM-PBSA post-convergence.