Calculation of pK a in proteins with the microenvironment modulated-screened coulomb potential

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 12, 2011, Pages 3346-3355

  Shan, Jufang ^a   Mehler, Ernest L ^a  

^a WEILL CORNELL MEDICAL COLLEGE   (United States)

Author keywords

Blind pK a prediction; Buried fraction; Hydrophobicity; Microenvironment; Protein pK a values

Indexed keywords

BACTERIAL ENZYME; HISTIDINE;

ARTICLE; COMPUTER PROGRAM; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DIELECTRIC CONSTANT; ELECTRIC POTENTIAL; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; IONIC STRENGTH; MICROENVIRONMENT MODULATED SCREENED COULOMB POTENTIAL; NONHUMAN; PH; PKA; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN INTERACTION; PROTEIN LOCALIZATION; PROTEIN STRUCTURE; PROTEIN TRANSPORT;

BACTERIAL PROTEINS; CRYSTALLOGRAPHY, X-RAY; HYDROGEN-ION CONCENTRATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MICROCOCCAL NUCLEASE; MODELS, CHEMICAL; MODELS, MOLECULAR; MUTATION; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; STATIC ELECTRICITY; STATISTICS AS TOPIC; THERMODYNAMICS;

EID: 81055157980     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23098     Document Type: Article

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