Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 918-929

  Lomize, Andrei L ^a   Pogozheva, Irina D ^a   Mosberg, Henry I ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ATOMS; COMPUTATIONAL EFFICIENCY; CYTOLOGY; DISSOCIATION; ELECTROSTATICS; HYDROGEN BONDS; HYDROPHOBICITY; IONS; LIPID BILAYERS; MEAN SQUARE ERROR; MOLECULES; SOLVENTS;

ANISOTROPIC SOLVENTS; ELECTROSTATIC CONTRIBUTIONS; IMPLICIT SOLVATION MODELS; QUANTIFICATION OF ENERGIES; REGRESSION COEFFICIENT; ROOT MEAN SQUARE ERRORS; SOLVATION PARAMETERS; SOLVENT ACCESSIBLE SURFACE AREAS;

SOLVATION;

SOLVENT; WATER;

ALGORITHM; ANISOTROPY; ARTICLE; CELL MEMBRANE; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; HYDROGEN BOND; LIPID BILAYER; MACROMOLECULE; SOLUTION AND SOLUBILITY; STATIC ELECTRICITY; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; ANISOTROPY; CELL MEMBRANE; COMPUTER SIMULATION; ENERGY TRANSFER; HYDROGEN BONDING; LIPID BILAYERS; MACROMOLECULAR SUBSTANCES; MODELS, THEORETICAL; SOLUTIONS; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 79955406829     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2000192     Document Type: Article

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