Fig. 4

Proteins that are problematic for interaction fingerprint scoring: a PARP (1efy@pdb) has small ligands making only few interactions; b AChE [1acj@pdb, with overlay of ligands from 1acj (orange), 2j3q (yellow), 5bwc (violet), 1gpk (green) and 1gqr (red)] has structurally dissimilar ligands that bind in different parts of the binding site