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. Author manuscript; available in PMC: 2014 Jul 9.
Published in final edited form as: J Chem Theory Comput. 2013 Jun 10;9(7):3072–3083. doi: 10.1021/ct400315q

Figure 2. Distribution of ΔΔGBind values for charge and van der Waals parameter perturbations in CCP (red) and Gyrase (blue).

Figure 2

Charge and σ histograms binned at 0.1 kcal/mol; ε histograms binned at 0.05 kcal/mol. For each parameter type (charge, σ, and ε), CCP and Gyrase results are normalized to each other to show relative frequencies. Charge, σ, and ε histograms are not normalized to each other.