Table 1.
Docking method | For RMSD < 2 Å (%) | For RMSD < 1 Å (%) |
---|---|---|
Quantum.Ligand.Dock | 78 | 59 |
AutoDock (35) | 81.7 | NA |
ChemPLPa (34,36) | 81 | 59 |
GoldScorea (34,36) | 69 | 50 |
ChemScorea (34,36) | 76 | 48 |
ASPa (36) | 72 | 44 |
LigDockCSA (35) | 84.7 | NA |
MolGroVirtual Docker (37) | 74 | NA |
ahttp://www.ccdc.cam.ac.uk/case_studies/life_science/workcase_posepred.pdf (Cambridge crystallographic data centre).