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. Author manuscript; available in PMC: 2017 Jun 5.
Published in final edited form as: J Comput Chem. 2016 Nov 16;38(15):1252–1259. doi: 10.1002/jcc.24523

Figure 5.

Figure 5

(A) 2D-histogram of full pocket occupancy versus bottom pocket occupancy (B) Fraction of ligands binding to pockets ranked by their volume size for Singletons (green) and COLIGs (magenta).