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Distributions of residuals between quantum mechanical (UQM) energies and molecular mechanical (UMM) energies for the eight fluorinated Ace-Xaa-Nme dipeptides, where Xaa is the fluorinated residue of interest. The 25th, 50th, and 75th percentiles are represented by horizontal lines, and root-mean-square-error values are represented by white filled circles. Each dataset is colored according to the original residue type indicated in the legend.
