Bounding the electrostatic free energies associated with linear continuum models of molecular solvation

Journal of Chemical Physics

Volumn 130, Issue 10, 2009, Pages

  Bardhan, Jaydeep P ^a,b   Knepley, Matthew G ^a,b   Anitescu, Mihai ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b RUSH MEDICAL COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AIRCRAFT ENGINES; AMINES; BIOCHEMISTRY; CONTINUUM MECHANICS; DISSOCIATION; FREE ENERGY; MOLECULAR BIOLOGY; PARTIAL DIFFERENTIAL EQUATIONS;

BORN MODELS; CHEMICAL GROUPS; COMPUTATIONAL COSTS; COMPUTATIONAL MODELS; COMPUTATIONALLY EFFICIENT; CONTINUUM MODELS; DYNAMICAL SIMULATIONS; ELECTROSTATIC FREE ENERGIES; ELECTROSTATIC INTERACTIONS; ELECTROSTATIC MODELS; ELECTROSTATIC THEORIES; EQUATION FORMULATIONS; MOLECULAR SOLVATIONS; MOLECULAR-DYNAMICS SIMULATIONS; NEW APPROACHES; NUMERICAL RESULTS; PAIR-WISE INTERACTIONS; PDE PROBLEMS;

ELECTROSTATICS;

METENKEPHALIN; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; SOLUBILITY; STATIC ELECTRICITY;

ENKEPHALIN, METHIONINE; MODELS, MOLECULAR; PROTEINS; SOLUBILITY; STATIC ELECTRICITY;

EID: 62549159547     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3081148     Document Type: Article

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