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. 2019 Dec 2;11(4):1140–1152. doi: 10.1039/c9sc03754c

Fig. 4. Performance of the pmx-based consensus force field calculations for each protein–ligand system studied. The ΔΔG estimates are plotted against their experimentally determined values. Text in the panels: AUE is in kJ mol−1; “cor” is Pearson correlation; “1 kcal/mol” denotes the percentage of the estimates that fall within 1 kcal mol−1 (4.184 kJ mol−1) of the experimental measurement; “values” refers to the total number of perturbations per dataset.

Fig. 4