Table 5: Discriminative Power (DP) of the 50 decoys generated by the different scoring functions and rescored by each another on all the 33 DNA-ligand complexes, minor groove only and intercalated only complexes.
| Scoring Functions |
Rescoring Functions |
| Autodock |
ASP |
ChemScore |
GoldScore |
| All decoys |
|
|
|
|
| ASP |
-0.01 |
-0.01 |
-0.11 |
-0.20 |
| ChemScore |
-0.07 |
-0.33 |
-0.01 |
-0.21 |
| GoldScore |
-0.02 |
-0.28 |
-0.28 |
-0.03 |
| Autodock |
-0.46 |
-0.26 |
-0.65 |
-0.22 |
| Minor groove decoys |
|
|
|
|
| ASP |
-0.03 |
-0.03 |
-0.20 |
-0.20 |
| ChemScore |
-0.13 |
-0.17 |
-0.03 |
-0.20 |
| GoldScore |
-0.04 |
-0.09 |
-0.14 |
-0.05 |
| Autodock |
-0.55 |
-0.37 |
-0.73 |
-0.41 |
| Intercalated decoys |
|
|
|
|
| ASP |
0.00 |
-0.13 |
-0.05 |
-0.10 |
| ChemScore |
-0.01 |
-0.50 |
0.00 |
-0.30 |
| GoldScore |
-0.01 |
-0.25 |
-0.53 |
-0.01 |
| Autodock |
-0.05 |
-0.13 |
-0.68 |
-0.11 |