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. Author manuscript; available in PMC: 2019 Oct 1.
Published in final edited form as: J Comput Aided Mol Des. 2018 Aug 6;32(10):1059–1073. doi: 10.1007/s10822-018-0144-8

Fig. 7.

Fig. 7.

Correlations between experimental and computed free energies using method 1 (DDM) (top) and method 2 (US method) (bottom). Computed values are presented as the mean and standard error (error bar) with linear regression line; red for double decoupling method and blue for umbrella sampling method. Solid black line denotes a perfect positive correlation. G12 and G13 are not included.