An evaluation of Poisson-Boltzmann electrostatic free energy calculations through comparison with experimental mutagenesis data

Biopolymers

Volumn 95, Issue 11, 2011, Pages 746-754

  Gorham Jr , Ronald D ^a   Kieslich, Chris A ^a   Nichols, Aaron ^a   Sausman, Noriko U ^a   Foronda, Marisse ^a   Morikis, Dimitrios ^a  

^a University of California Riverside   (United States)

Author keywords

alanine scan; continuum electrostatics; Coulombic free energy; electrostatically driven association; excessive charge; protein dielectric; protein salvation; solvation free energy

Indexed keywords

ALANINE SCAN; CONTINUUM ELECTROSTATICS; COULOMBIC FREE ENERGY; ELECTROSTATICALLY-DRIVEN ASSOCIATION; EXCESSIVE CHARGE; SOLVATION FREE ENERGY;

AMINO ACIDS; ELECTROSTATIC FORCE; MUTAGENESIS; PROTEINS; SOLVATION;

FREE ENERGY;

ALANINE; ANGIOGENIN; BARNASE; BARSTAR; CD4 ANTIGEN; DEOXYRIBONUCLEASE; GLYCOPROTEIN GP 120; HGHBP; HUMAN GROWTH HORMONE; IM9; PROTEIN; RIBONUCLEASE INHIBITOR; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CALCULATION; CONSTANTS AND COEFFICIENTS; COULOMETRY; DIELECTRIC CONSTANT; ENERGY; EVALUATION; EXPERIMENTAL STUDY; IONIC STRENGTH; MUTAGENESIS; MUTANT; POISSON BOLTZMANN ELECTROSTATIC FREE ENERGY; PREDICTIVE VALUE; PROTEIN ASSEMBLY; PROTEIN BINDING; PROTEIN STRUCTURE; SOLVATE; SOLVATION; THERMODYNAMICS;

MODELS, MOLECULAR; MUTAGENESIS; STATIC ELECTRICITY;

EID: 80052270875     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21644     Document Type: Article

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