The Weighted Gaussian Curvature Derivative of a Space-Filling Diagram
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AbstractThe 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.
2018 ◽
Vol 26
(3)
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pp. 99-108
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2019 ◽
Vol 41
(5)
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pp. B1137-B1154
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1992 ◽
Vol 40
(7)
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pp. 1475-1485
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