Binding free energy (MM-PBSA) for Aβ1–40 peptide dimer–ligand complexes.
| Compound | Binding free energy (kcal mol−1) | |
|---|---|---|
| Site I | Site II | |
| Compound 2 | −24.56 ± 2.73 | −18.12 ± 2.21 |
| Myricetin | −26.07 ± 3.67 | −19.67 ± 2.55 |
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