Table 3.
Complexes | Glide XP score (kcal/mol) |
Glide Evdw (kcal/mol) |
Glide Ecoul (kcal/mol) |
Glide Emodel (kcal/mol) |
Glide Energy (kcal/mol) |
---|---|---|---|---|---|
EDC-BACE | −15.20 | −32.97 | −23.79 | −96.58 | −56.76 |
FDC-BACE | −14.39 | −28.88 | −30.66 | −97.88 | −59.55 |
EDC-AChE | −11.92 | −46.03 | −18.82 | −106.16 | −64.85 |
FDC-AChE | −11.85 | −42.17 | −16.71 | −86.54 | −58.88 |