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Binding free energy of Mpro inhibitors calculated through MM-GBSA approach. Energy is given in Kcal/mol
| Compounds | ChemDiv_D658-0159 | ChemDiv_F431-0433 | Enamine_Z3019991843 | Asinex_LAS_51389260 |
|---|---|---|---|---|
| Minimum | −77.452 | −71.866 | −73.350 | −68.674 |
| Maximum | −28.136 | −25.539 | −20.652 | −17.594 |
| Average | −54.846 | −50.170 | −49.495 | −49.320 |
| Standard deviation | ± 6.714 | ± 6.315 | ± 10.181 | ± 6.6174 |
