A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations

Journal of Chemical Physics

Volumn 134, Issue 8, 2011, Pages

  Riniker, Sereina ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; DIELECTRIC PERMITTIVITIES; DIELECTRIC SCREENING; ELECTROSTATIC INTERACTIONS; IMPLICIT TREATMENT; KEY CHARACTERISTICS; LIQUID PHASE; LIQUID WATER; LITERATURE MODELS; MODEL PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; ORDERS OF MAGNITUDE; PARAMETRIZATIONS; ROOM TEMPERATURE; SIMPLE POINT CHARGE; SIMULATED DATA; SYSTEM SIZE; TIME-SCALES; TWO PARTICLES; WATER MODELS; WATER MOLECULE;

ELECTROSTATICS; LIQUIDS; MOLECULAR DYNAMICS; MOLECULES; WATER TREATMENT;

COMPUTER SIMULATION;

WATER;

ARTICLE; CHEMISTRY; DIMERIZATION; ECONOMICS; MOLECULAR DYNAMICS; STATIC ELECTRICITY;

DIMERIZATION; MOLECULAR DYNAMICS SIMULATION; STATIC ELECTRICITY; WATER;

EID: 79952076954     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3553378     Document Type: Article

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