Monte Carlo-based linear Poisson-Boltzmann approach makes accurate salt-dependent solvation free energy predictions possible

Journal of Chemical Physics

Volumn 127, Issue 18, 2007, Pages

  Simonov, Nikolai A ^a,c   Mascagni, Michael ^b   Fenley, Marcia O ^a  

^a Florida State University   (United States)

^b Florida State University   (United States)

^c INSTITUTE OF COMPUTATIONAL MATHEMATICS AND MATHEMATICAL GEOPHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; BOLTZMANN EQUATION; FREE ENERGY; MONTE CARLO METHODS; PEPTIDES; POISSON DISTRIBUTION; SOLVATION;

ARGININE; BINDING PEPTIDES; ELECTROSTATIC EFFECTS; STATISTICAL SIMULATION;

ELECTROSTATICS;

ARGININE; INORGANIC SALT; PEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MONTE CARLO METHOD;

ARGININE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; PEPTIDES; SALTS;

EID: 36148963721     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2803189     Document Type: Article

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