Table 2: Redocking results compared with other groups.

Complex PDBRMSD (Å)aOther docking methods
ICMbNussinovcFTDOCKdBiGERe

Protease-inhibitor
 1CA00.440.4
 1CBW0.240.5
 1ACB0.580.50.90.6
 1CHO0.260.30.50.8
 1CGI0.150.41.0
 2KAI0.300.81.20.4
 2SNI0.160.31.10.6
 2SIC0.580.41.10.83.8
 1CSE0.530.31.3
 2TEC0.180.31.23.6
 1TAW0.390.7
 2PTC0.720.40.60.7
 3TGI0.210.3
 1BRC0.550.7

Enzyme-inhibitor
 1FSS0.130.4
 1BVN0.230.4
 1BGS0.330.6
 1AY70.300.7
 2B5R0.601.3
 1UGH0.390.4

Electron transport
 2PCB1.181.2
 2PCF0.191.1

Antibody-antigen
 1MLC0.570.40.8
 1VFB0.240.51.50.7

aRMSDs are calculated for the ligand interface C 𝛼 atoms in this work. bDocking with known binding site followed by refinement of interface side-chain conformations [27]; RMSD (Å) calculated for the ligand interface C 𝛼 atoms. cGlobal docking followed by hydrophobicity and connectivity filters [40]; RMSD (Å) calculated for the ligand heavy atoms when only receptor is superimposed onto the real structure. dGlobal docking and filtering with distance restraints [6]; RMSD (Å) when both receptor and ligand C 𝛼 atoms are superimposed onto the real complex. eGlobal docking [41]; RMSD (Å) calculated for the ligand C 𝛼 atoms when only the receptor C 𝛼 atoms are superimposed onto the real structure.