--- res: bibo_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.@eng bibo_authorlist: - foaf_Person: foaf_givenName: Arseniy foaf_name: Akopyan, Arseniy foaf_surname: Akopyan foaf_workInfoHomepage: http://www.librecat.org/personId=430D2C90-F248-11E8-B48F-1D18A9856A87 orcid: 0000-0002-2548-617X - foaf_Person: foaf_givenName: Herbert foaf_name: Edelsbrunner, Herbert foaf_surname: Edelsbrunner foaf_workInfoHomepage: http://www.librecat.org/personId=3FB178DA-F248-11E8-B48F-1D18A9856A87 orcid: 0000-0002-9823-6833 bibo_doi: 10.1515/cmb-2020-0100 bibo_issue: '1' bibo_volume: 8 dct_date: 2020^xs_gYear dct_isPartOf: - http://id.crossref.org/issn/2544-7297 dct_language: eng dct_publisher: De Gruyter@ dct_title: The weighted mean curvature derivative of a space-filling diagram@ ...