Figure 2
From: DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
Superimpositions of the X-ray ligand and docked ligand poses to the 1STPand 1RBPcomplexes. The X-ray ligand is shown in green; the docked ligand using the all-atom model is shown in orange; and the docked ligand position derived from the polar-hydrogen model is shown in cyan, where the non-polar hydrogens were artificially added in the representation.