Fig. 3From: Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsCorrelation between default and optimized docking box sizes for the PDB-bench dataset. Each gray square corresponds to one PDB-bench ligand with the default and optimized box sizes represented by their volumes. The solid line is the diagonal and the dashed line shows the minimum volume for a default box calculated as 22.5 Å × 22.5 Å × 22.5 ÅBack to article page