Table 3.
Binding free energy calculations for the protein–ligand systems based on MMGBSA.
| MMGBSA | Delta G | Standard. dev. |
|---|---|---|
| Standard | −29,4833 | ±6,1179 |
| Compound 01 | −39,4656 | ±7,8665 |
| Compound 09 09 | −36,3851 | ±3,7805 |
Values expressed in kcal/mol.
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