The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials

Journal of Chemical Physics

Volumn 134, Issue 22, 2011, Pages

  Lu, Lanyuan ^a,b   Voth, Gregory A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYSIS TOOLS; ATOMISTIC MOLECULAR DYNAMICS; ATOMISTIC SYSTEM; CALCULATION METHODS; COARSE GRAINING; COARSE-GRAINED; COARSE-GRAINING METHOD; DIMYRISTOYLPHOSPHATIDYLCHOLINE; EFFECTIVE POTENTIALS; ENERGY DECOMPOSITION; ENTROPIC CONTRIBUTIONS; FREE ENERGY COMPUTATIONS; LIQUID METHANOL; MANY-BODY; MULTISCALES; NUMERICAL EXAMPLE; POTENTIAL OF MEAN FORCE; THERMODYNAMIC INFORMATION;

LIPID BILAYERS; METHANOL; MOLECULAR DYNAMICS;

FREE ENERGY;

DIMYRISTOYLPHOSPHATIDYLCHOLINE; METHANOL;

ARTICLE; CHEMISTRY; LIPID BILAYER; MOLECULAR DYNAMICS; THERMODYNAMICS;

DIMYRISTOYLPHOSPHATIDYLCHOLINE; LIPID BILAYERS; METHANOL; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS;

EID: 79959449533     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3599049     Document Type: Article

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