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. Author manuscript; available in PMC: 2018 Jun 13.
Published in final edited form as: J Chem Theory Comput. 2017 May 1;13(6):2930–2944. doi: 10.1021/acs.jctc.6b01183

Figure 11.

Figure 11

ROC curves for the DOCK 6 score and for AlGDock scores calculated using the (a) OBC2 or (b) PBSA implicit solvent models. Snapshots from YANK simulations with active ligands are weighted according to scheme (c).