Effective Born radii in the generalized Born approximation: The importance of being perfect

Journal of Computational Chemistry

Volumn 23, Issue 14, 2002, Pages 1297-1304

  Onufriev, Alexey ^a   Case, David A ^a   Bashford, Donald ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

Effective Born radii; Generalized Born approximation; Macromolecules; Molecular dynamics; Poisson equation

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONFORMATIONS; MACROMOLECULES; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; POISSON EQUATION;

BORN RADII; GENERALIZED BORN APPROXIMATION;

MOLECULAR DYNAMICS;

MYOGLOBIN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; ELECTRICITY; MACROMOLECULE; MATHEMATICAL COMPUTING; THERMODYNAMICS;

ELECTROSTATICS; MACROMOLECULAR SUBSTANCES; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MYOGLOBIN; THERMODYNAMICS;

EID: 0037110472     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10126     Document Type: Article

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