Coarse-grained potential models for phenyl-based molecules: I. parametrization using experimental data

Journal of Physical Chemistry B

Volumn 114, Issue 19, 2010, Pages 6386-6393

  Devane, Russell ^a,b,c,d   Klein, Michael L ^a,b,c,d   Chiu, Chi Cheng ^a,b,c,d   Nielsen, Steven O ^a,b,c,d   Shinoda, Wataru ^a,b,c,d   Moore, Preston B ^a,b,c,d  

^a Temple University   (United States)

^b UNIVERSITY OF TEXAS AT DALLAS   (United States)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^d UNIVERSITY OF THE SCIENCES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; MOLECULES; ORGANIC ACIDS; PHOSPHATASES; SURFACE TENSION; THERMODYNAMICS;

ATOMISTIC SIMULATIONS; COARSE-GRAINED; COARSE-GRAINED POTENTIAL; DEVELOP PARAMETERS; EXPERIMENTAL DATA; FUNCTIONAL FORMS; GRAIN MODELS; INTERACTION SITE; INTERMOLECULAR POTENTIALS; LENNARD JONES; PARAMETRIZATIONS; SIDE CHAINS; THERMODYNAMIC DATA;

COMPUTER SIMULATION;

EID: 77952478054     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp9117369     Document Type: Article

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