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Docking results of three ligands along with fitting score with TM (AutoDock Vina scores are in kcal/mol).
| Entry | Structures | Auto Dock Vina with protonated protein | GOLD |
|---|---|---|---|
| L1 |
|
‒9.5 | 74.05 |
| L2 |
|
‒9.8 | 68.03 |
| L6 |
|
‒9.4 | 88.15 |
| Standard |
|
‒8.5 | 69.51 |
