Table 3 Summary of docking results on 237 targets that have receptor models from I-TASSER with TM-score > 0.8 and binding site error < 8 Å
From: EDock: blind protein–ligand docking by replica-exchange monte carlo simulation
Dataset | Method | RMSD (Å) | Center distance (Å) | Ave RMSD < 5.0 Å | ||
|---|---|---|---|---|---|---|
Ave | Med | Ave | Med | |||
DUDE (57) | EDock | 5.47 | 5.79 | 2.95 | 2.85 | 24 |
DOCK6 | 7.02 | 7.09 | 4.03 | 3.54 | 10 | |
Vina | 6.91 | 6.96 | 3.41 | 3.16 | 9 | |
COACH (180) | EDock | 4.62 | 4.28 | 2.70 | 2.11 | 100 |
DOCK6 | 7.05 | 6.89 | 4.43 | 4.24 | 40 | |
Vina | 6.18 | 6.25 | 3.53 | 3.31 | 59 | |