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| Molecule | RMSDA | Estimated free energy kcal/mol | Final docked energy Kcal/mol |
|---|---|---|---|
| 1 | 0.360 | -6.73 | -7.94 |
| 2 | 0.669 | -8.10 | -10.44 |
| 3 | 0.361 | -8.65 | -7.51 |
| 4 | 0.525 | -6.96 | -8.31 |
| 5 | 0.815 | -8.49 | -10.33 |
| 6 | 0.335 | -7.46 | -8.64 |
| 7 | 0.565 | -8.03 | -10.20 |
| 9 | 0.627 | -6.35 | -7.79 |
| 10 | 0.417 | -7.64 | -10.05 |
| 11 | 0.448 | -7.56 | -9.18 |
| 12 | 0.524 | -7.14 | -7.77 |
| 13 | 0.496 | -7.28 | -8.63 |
| 14 | 0.551 | -7.76 | -9.81 |
