Research Article
Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (Mpro) of SARS-CoV-2
Table 5
Docking scores and MM-GBSA binding free energies.
| Ligand | Docking score (kcal/mol) | Bind energy (kcal/mol) |
| Procyanidin | −9.132 | −66.7 | Vitexin | −8.433 | −53.4 | Quercetin (control ligand) | −7.474 | −51.69 | Methyl linoleic acid | −3.58 | −77.65 | Oleic acid | −3.092 | −63.57 |
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