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. Author manuscript; available in PMC: 2017 Mar 7.
Published in final edited form as: J Chem Theory Comput. 2015 Sep 11;11(10):4593–4600. doi: 10.1021/acs.jctc.5b00684

Figure 2.

Figure 2

Slopes (γrep) of the least-squares fit of the derivatives (∂Grep/∂xi) of the repulsive (ΔGrep) component of the cavity-insertion energy (ΔGvdw) with respect to the coordinates (xi) of the atomic centers versus derivatives (∂A/∂xi) of the solvent-accessible surface areas (A) with respect to xi versus A for all complexes and components in this study.