From: EDock: blind protein–ligand docking by replica-exchange monte carlo simulation
Datasets | Methods | Ligand RMSD (Å) | Center distance (Å) | Ave RMSD < 1.0 Å | ||
---|---|---|---|---|---|---|
Ave | Med | Ave | Med | |||
DUDE (101) | Initial | 4.17 | 3.72 | 1.97 | 1.55 | 7 |
EDock | 1.28 | 0.36 | 0.74 | 0.26 | 81 | |
Vina | 1.38 | 0.52 | 0.67 | 0.35 | 80 | |
DOCK6 | 1.41 | 0.53 | 0.90 | 0.32 | 81 | |
COACH (429) | Initial | 3.90 | 3.13 | 1.61 | 1.26 | 35 |
EDock | 1.91 | 0.48 | 0.99 | 0.35 | 286 | |
Vina | 2.72 | 0.78 | 1.36 | 0.56 | 228 | |
DOCK6 | 2.72 | 1.46 | 1.14 | 0.77 | 171 |