Research Article
Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (Mpro) of SARS-CoV-2
Table 6
Results of the calculation of the energy strain of each ligand.
| Ligands | E () (kcal/mol) | | Es ligan (kcal/mol) |
| Procyanidin | 1.094 | 1.67 | 3.82 | Methyl linoleic acid | 0.84 | 2.99 | −0.39 | Oleic acid | 0.42 | 1.85 | −0.00641 | Vitexin | 1.25 | 2.22 | 0.082 | Quercetin (control ligand) | 1.44 | 2.50 | −0.22 |
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