Table 1.
Protein | PDB ID | Grid Box Center Coordinates | Grid Box Size | Conformers Generated per Ligand |
---|---|---|---|---|
Lipoxygenase | 1N8Q | center_x = 22.4550 | size_x = 12.4283 | 8 |
center_y = 1.2929 | size_y = 10.6802 | |||
center_z = 20.3621 | size_z = 12.1421 | |||
CYP2C9 | 1OG5 | center_x = −19.8236 | size_x = 12.3877 | 8 |
center_y = 86.6869 | size_y = 11.6533 | |||
center_z = 38.2757 | size_z = 11.6542 | |||
NADPH-oxidase | 2CDU | center_x = 18.9974 | size_x = 14.0073 | 8 |
center_y = −5.7774 | size_y = 14.9976 | |||
center_z = −1.8087 | size_z = 18.7956 | |||
Xanthine oxidase | 3NRZ | center_x = 37.4800 | size_x = 7.3289 | 8 |
center_y = 19.3054 | size_y = 10.3411 | |||
center_z = 18.1518 | size_z = 9.1241 |