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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 6.

Figure 6

(A) Probability density distribution and cumulative fraction of bottom pocket occupancy, PO, for COLIGs (magenta) and Singletons (green). (B) Example from the Singleton (PDB_ID: 2A3A) set whose PO is 22%.