FACTS: Fast analytical continuum treatment of solvation

Journal of Computational Chemistry

Volumn 29, Issue 5, 2008, Pages 701-715

  Haberthur, Urs ^a   Caflisch, Amedeo ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

CHARMM; Continuum dielectric; Generalized Born model; Implicit solvent; Molecular dynamics simulations

Indexed keywords

COULOMB INTERACTIONS; FINITE DIFFERENCE METHOD; FREE ENERGY; MOLECULAR DYNAMICS; POISSON DISTRIBUTION; SOLVATION;

CONTINUUM SOLVENT; ELECTROSTATIC SOLVATION ENERGY; EMPIRICAL EQUATIONS; GENERALIZED BORN MODEL; SURFACE AREA;

MACROMOLECULES;

PEPTIDE; PROTEIN; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; MACROMOLECULE; PROTEIN CONFORMATION; REPRODUCIBILITY; SOLUBILITY; SURFACE PROPERTY; THERMODYNAMICS;

COMPUTER SIMULATION; ELECTROSTATICS; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; PEPTIDES; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS; SOLUBILITY; SOLVENTS; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 40549111613     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20832     Document Type: Article

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