An approximate procedure for the calculation of van der Waals and solvent-accessible surfaces areas; computing Gibbs free energies of hydration

Journal de Chimie Physique et de Physico-Chimie Biologique

Volumn 96, Issue 4, 1999, Pages 566-590

  Ulmschneider, M ^a   Penigault E ^a  

^a Ecole Nationale Superieure de Chimie de Mulhouse   (France)

Author keywords

Analytical model; Atomic pi surface; Atomic sigma surface; Gibbs free energy of hydration; Molecular surface; Partial atomic surface; Solventaccessible surface; Van der Waals surface

Indexed keywords

ANALYTIC METHOD; ARTICLE; CALCULATION; HYDRATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SURFACE PROPERTY; THERMODYNAMICS;

EID: 0345189546     PISSN: 00217689     EISSN: None     Source Type: Journal    
DOI: 10.1051/jcp:1999159     Document Type: Article

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