Figure 7
Correlations between the experimentally measured binding constants of the protein-ligand complexes and the PharmDock-predicted binding scores. The experimentally measured binding constants were shown in –log Kd units. Left. Correlations between the binding constants and the predicted binding scores when native conformers were provided together with low-energy conformers as input for docking. Right. Correlations between the binding constants and the predicted binding scores when using only low-energy conformers as docking input.