Proton Binding to Proteins: pKa Calculations with Explicit and Implicit Solvent Models

Journal of the American Chemical Society

Volumn 126, Issue 13, 2004, Pages 4167-4180

  Simonson, Thomas ^a   Carlsson, Jens ^b,c   Case, David A ^b  

^a LABORATOIRE DE BIOCHIMIE   (France)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; IONIZATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROTONS;

ELECTROSTATIC INTERACTIONS; PROTON BINDING;

PROTEINS;

ASPARTIC ACID; SOLVENT; THIOREDOXIN;

ARTICLE; CALCULATION; DIELECTRIC CONSTANT; ELECTRICITY; IONIZATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PROTEIN BINDING; PROTEIN FUNCTION; PROTEIN STRUCTURE;

ANIMALS; ASPARTIC ACID; ELECTROSTATICS; KINETICS; MODELS, CHEMICAL; PROTEINS; PROTONS; RIBONUCLEASE, PANCREATIC; SOLVENTS; THIOREDOXIN;

EID: 1842607440     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039788m     Document Type: Article

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