Performance Comparison of Generalized Born and Poisson Methods in the Calculation of Electrostatic Solvation Energies for Protein Structures

Journal of Computational Chemistry

Volumn 25, Issue 2, 2004, Pages 265-284

  Feig, Michael ^a   Onufriev, Alexey ^a   Lee, Michael S ^b   Im, Wonpil ^a   Case, David A ^a   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b UNITED STATES ARMY MEDICAL RESEARCH INSTITUTE OF INFECTIOUS DISEASES   (United States)

Author keywords

Continuum dielectric; Implicit solvation

Indexed keywords

APPROXIMATION THEORY; BOUNDARY ELEMENT METHOD; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONFORMATIONS; ELECTROSTATICS; FINITE DIFFERENCE METHOD; MACROMOLECULES; MOLECULAR DYNAMICS; OPTIMIZATION; PERMITTIVITY; POISSON EQUATION; POLARIZATION; SOLVENTS; TOPOLOGY;

BIOMOLECULES; CONTINUUM DIELECTRICS; IMPLICIT SOLVATION;

PROTEINS;

PROTEIN;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; ELECTRICITY; HYDROGEN BOND; POISSON DISTRIBUTION; PROTEIN CONFORMATION; SOLUTION AND SOLUBILITY; THEORETICAL MODEL; THERMODYNAMICS;

ELECTROSTATICS; HYDROGEN BONDING; MODELS, THEORETICAL; POISSON DISTRIBUTION; PROTEIN CONFORMATION; PROTEINS; SOLUTIONS; THERMODYNAMICS;

EID: 0346971105     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10378     Document Type: Article

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