Affiliation:
1. IST Austria (Institute of Science and Technology Austria) , Klosterneuburg , Austria
Abstract
Abstract
The morphometric approach [11, 14] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted Gaussian curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [4], and the weighted mean curvature in [1], this yields the derivative of the morphometric expression of solvation free energy.
Subject
Applied Mathematics,Computational Mathematics,Mathematical Physics,Molecular Biology,Biophysics
Reference14 articles.
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