Table 4. Comparison between Running DOCK 6 Using Ligand Conformations Provided by AutoDock Vina vs Running DOCK 6 Using Original Ligands.
| AUC-ROC |
||||
|---|---|---|---|---|
| family | PDB code | Dock 6 | Dock 6 after AutoDock Vina | AUC-ROC curve improvement (%) |
| kinase | 1H00 | 0.85 | 0.96 | 13 |
| 2QD9 | 0.48 | 0.59 | 23 | |
| metalloenzyme | 3BKL | 0.57 | 0.81 | 42 |
| nuclear hormone receptor | 2AM9 | 0.35 | 0.46 | 31 |
| 3KBA | 0.56 | 0.56 | 0 | |
| folate enzyme | 3NX0 | 0.63 | 0.80 | 27 |
| serine protease | 2AYW | 0.90 | 0.95 | 6 |
| other enzymes | 1XL2 | 0.63 | 0.76 | 21 |