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Table 3 Accuracy of redocking original ligand into predicted binding sites

From: GPCR-BSD: a database of binding sites of human G-protein coupled receptors under diverse states

 

Experimentally determined structures (ligand RMSD < 2.0)

Experimentally determined structures (key residue coverage > 50%)

Predicted structures (key residue coverage > 50%)

fpocket

77/115 (66.96%)

64/115 (55.65%)

56/115 (48.70%)

CavityPlus

66/115 (57.39%)

58/115 (50.43%)

45/114 (39.47%)

GHECOM

76/115 (66.09%)

60/115 (52.17%)

44/113 (38.94%)