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The best binding energy scores of the active compounds and the target proteins of Mpro.
| No | Active Compound | Mpro (6lu7) (kcal/mol) | rmsd/ub | rmsd/lb |
|---|---|---|---|---|
| 1 | Gentiatibetine | −5.1 | 0.00 | 0.00 |
| 2 | Quercetin | −7.5 | 0.00 | 0.00 |
| 3 | Quercetin-3′-O-glucoside | −8.2 | 0.00 | 0.00 |
| 4 | Undulatoside A | −7.7 | 0.00 | 0.00 |
| 5 | Kaempferol-3-O-neohesperidoside | −5.7 | 0.00 | 0.00 |
| 6 | Apigenin | −7.8 | 0.00 | 0.00 |
| 7 | Kaempferol | −7.8 | 0.00 | 0.00 |
| 8 | Remdesivir | −7.3 | 0.00 | 0.00 |
