Effective atom volumes for implicit solvent models : comparison between Voronoi volumes and minimum fluctuation volumes
An essential element of implicit solvent models, such as the generalized Born method, is a knowledge of the volume associated with the individual atoms of the solute. Two approaches for determining atomic volumes for the generalized Born model are described; one is based on Voronoi polyhedra and the...
| Publié dans: | Journal of computational chemistry. - 1984. - 22(2001), 15 vom: 30. Nov., Seite 1857-1879 |
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| Auteur principal: | |
| Autres auteurs: | , , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2001
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article |