Effective atom volumes for implicit solvent models: Comparison between Voronoi volumes and minimum fluctuation volumes

Journal of Computational Chemistry

Volumn 22, Issue 15, 2001, Pages 1857-1879

  Schaefer, Michael ^a,b   Bartels, Christian ^a,b   Leclerc, Fabrice ^a,b   Karplus, Martin ^a,b  

^a UNIVERSITÉ LOUIS PASTEUR   (France)

^b HARVARD UNIVERSITY   (United States)

Author keywords

Continuum electrostatics; Density fluctuations; Generalized Born equation; Solvent inaccessible volume; Voronoi polyhedra

Indexed keywords

EID: 0035976325     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1137     Document Type: Article

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