On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations

Journal of Computational Chemistry

Volumn 24, Issue 8, 2003, Pages 954-962

  Rankin, Kathryn N ^a   Sulea, Traian ^a   Purisima, Enrico O ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Atomic parameters; Binding; Continuum electrostatics; Dielectric constant; Free energy; Solvation

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; ELECTROSTATICS; FREE ENERGY; MOLECULAR DYNAMICS; PERMITTIVITY;

SOLVATION;

HYDRATION;

EID: 0037693081     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10261     Document Type: Article

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