Table 2.
Binding affinity scores and energies of ApoE4 in complex with IAH and PHC.
| Compound | ZINC ID | Docking score | XP Gscore | Glide ligand efficiency | Glide evdw | Glide emodel | Glide energy |
|---|---|---|---|---|---|---|---|
| IAH | ZINC19735138 | −6.79 | −6.79 | 0.75 | −3.28 | −23.90 | −28.96 |
| PHC | ZINC00049154 | −6.76 | −6.76 | −0.56 | −6.18 | −32.97 | −26.97 |