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. 2018 Mar 16;10:15. doi: 10.1186/s13321-018-0264-0

Fig. 4.

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