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. Author manuscript; available in PMC: 2017 Jun 24.
Published in final edited form as: J Chem Inf Model. 2016 May 24;56(6):1139–1151. doi: 10.1021/acs.jcim.5b00709

Figure 1. Enrichment power versus binding pose accuracy across 26 kinase targets.

Figure 1

A set of 20 unique binding poses was generated for 940 co-crystallized inhibitors across 26 kinase targets in PDBBind’s general set. The RMSD to the native crystal pose was used to separate the binding poses into the following bins: <2, 2–4, 4–6, 6–8, and >10 Å. ROC-AUC performance are shown in a box-and-whisker plot for each of the docking method and scoring function combinations: (A) Glide/GlideScore; (B) Glide/SVMGen; (C) Vina/GlideScore; (D) Vina/SVMGen.