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Binding free energy calculations obtained after MD simulation of Mpro with various docked ligands.
| Analysis | Fortovase | Cobicistat | Cangrelor | Iopromide | Hopeaphenol | Cyclosieversiodide A |
|---|---|---|---|---|---|---|
| Binding Free Energy (kcal/mol | −7.52 | −11.42 | −6.93 | −8.22 | −10.95 | −8.54 |
