Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima

Figure 2

The distribution of the RMSD of the low-energy minima from the nonoptimized native ligand positions for 16 complexes for “” and “” sets (a) and for “”, “”, and “” sets (b). The lowest RMSD values are presented for each complex in the insets.

(a)

(b)