Efficient Evaluation of the Effective Dielectric Function of a Macromolecule in Aqueous Solution

Journal of Computational Chemistry

Volumn 24, Issue 15, 2003, Pages 1936-1949

  Haberthür, Urs ^a   Majeux, Nicolas ^a   Werner, Philipp ^a   Caflisch, Amedeo ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Analytical electrostatic interaction (AEI); Continuum dielectric; Effective dielectric constant; Generalized Born approach; Implicit solvent; Solvation energy

Indexed keywords

DIELECTRIC MATERIALS; FINITE DIFFERENCE METHOD; FUNCTIONS; POISSON DISTRIBUTION; PROTEINS; SOLUTIONS;

SOLVATION ENERGY;

MACROMOLECULES;

PROTEIN; WATER;

ARTICLE; BIOLOGICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; ELECTRIC CONDUCTIVITY; MACROMOLECULE; MATHEMATICS; PROTEIN CONFORMATION; THEORETICAL MODEL;

ELECTRIC CONDUCTIVITY; MACROMOLECULAR SUBSTANCES; MATHEMATICS; MODELS, BIOLOGICAL; MODELS, THEORETICAL; PROTEIN CONFORMATION; PROTEINS; WATER;

EID: 0142188255     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10317     Document Type: Article

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