Top-1 pose Top-1 pose Top-1 pose Top-1 pose Top-5 poses Top-5 poses Top-5 poses Top-5 poses
RMSD (Å) RMSD (Å) lDDT-PLI lDDT-PLI RMSD (Å) RMSD (Å) lDDT-PLI lDDT-PLI
Method n SR (%) median mean std SR (%) median mean std
Blind docking Autodock Vina 255 3.92 11.84 0.20 0.24 5.49 7.70 0.30 0.25
SMINA 256 3.52 12.06 0.20 0.23 6.25 7.97 0.30 0.26
GNINA 256 4.69 18.47 0.17 0.26 9.38 9.44 0.28 0.29
TANKBind 256 4.30 7.65 0.29 0.25
Best pocket Autodock Vina 252 4.76 8.52 0.28 0.25 10.71 5.62 0.40 0.27
SMINA 253 4.35 8.51 0.27 0.24 12.25 5.83 0.38 0.27
GNINA 253 8.70 7.46 0.33 0.28 14.62 5.69 0.43 0.28
TANKBind 253 5.53 6.15 0.36 0.26
DiffDock 252 21.03 4.15 0.48 0.29 32.94 3.07 0.58 0.27