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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 10. Multiple simultaneous perturbations show a small amount of non-additivity.

Figure 10

Solid bars show 〈|ΔΔGBind|〉 for single, double, and triple perturbations. The shaded regions shows 〈|ΔΔΔGNon-add|〉, which is the average amount of non-additivity in ΔΔGBind for multiple perturbations (see equations 5 and 6).