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Journal of Computational Chemistry

Volumn 34, Issue 13, 2013, Pages 1112-1124

A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics

(3) Masella, Michel a Borgis, Daniel b Cuniasse, Philippe a

a Institute Frederic Joliot (France)

b Centre National de la Recherche Scientifique (France)

Author keywords

coarse grained; ion salvation; multiscale; polarizable force field

Indexed keywords

COARSE-GRAINED; COARSE-GRAINED APPROACHES; COMPUTATIONAL RESOURCES; FREE ENERGY COMPUTATIONS; MICROSCOPIC INTERACTION; MULTI-SCALE APPROACHES; MULTISCALES; POLARIZABLE FORCE-FIELD;

ELECTROSTATICS;

SOLVATION;

PROTEIN; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; STATIC ELECTRICITY;

MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEINS; SOLVENTS; STATIC ELECTRICITY; WATER;

EID: 84876058834 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23237 Document Type: Article

Times cited : (19)

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