@article{9157, abstract = {Representing an atom by a solid sphere in 3-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy. The morphometric approach [12, 17] writes the latter 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 mean curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [3], and the weighted Gaussian curvature [1], this yields the derivative of the morphometric expression of the solvation free energy.}, author = {Akopyan, Arseniy and Edelsbrunner, Herbert}, issn = {2544-7297}, journal = {Computational and Mathematical Biophysics}, number = {1}, pages = {51--67}, publisher = {De Gruyter}, title = {{The weighted mean curvature derivative of a space-filling diagram}}, doi = {10.1515/cmb-2020-0100}, volume = {8}, year = {2020}, }