Binding free energy (MM-PBSA) for AChE/BuChE–ligand complexes.
| Compound | Binding free energy (kcal mol−1) | |
|---|---|---|
| AChE | BuChE | |
| Compound 2 | −13.21 ± 5.09 | −20.17 ± 3.97 |
| Tacrine | −27.11 ± 4.67 | −26.52 ± 5.32 |
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