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. Author manuscript; available in PMC: 2021 Mar 15.
Published in final edited form as: J Comput Chem. 2019 Aug 9;41(7):715–730. doi: 10.1002/jcc.26036

Figure 11: Differences between the mean BPMF of Desolvated and Full solvation options.

Figure 11:

(a) Data points are ordered by the difference in mean BPMFs and the error bars are the sum of the standard deviations of the two estimates. (b) The fraction of systems in which the difference in mean BPMFs is larger than the sum of standard deviations of the two estimates. Either the Desolvated (red squares) or Full (blue circles) BPMF is lower by at least a certain value. (c) The difference in the minimum interaction energy, according to the force field in milestone E, versus the difference in mean BPMFs.