Predicting the acid/base behavior of proteins: A constant-pH monte carlo approach with generalized born solvent

Journal of Physical Chemistry B

Volumn 114, Issue 32, 2010, Pages 10634-10648

  Aleksandrov, Alexey ^a   Polydorides, Savvas ^b   Archontis, Georgios ^b   Simonson, Thomas ^a  

^a LABORATOIRE DE BIOCHIMIE   (France)

^b UNIVERSITY OF CYPRUS   (Cyprus)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; COMPUTATION THEORY; COMPUTATIONAL EFFICIENCY; MONTE CARLO METHODS;

ACID/BASE PROPERTIES; COMPUTATIONAL ALGORITHM; DIELECTRIC CONSTANTS; ELECTRONIC-POLARIZABILITY; ELECTROSTATIC INTERACTIONS; EMPIRICAL MODEL; GENERALIZED BORN; GENERALIZED BORN MODELS; MODEL PARAMETERS; MONTE CARLO; MONTE CARLO APPROACH; MONTE CARLO SCHEMES; NULL MODEL; PROTON BINDING; PROTONATION FREE ENERGY; RMS ERRORS; SIDE CHAINS; STANDARD MODEL; TEST SETS; TITRATION CURVES;

PROTEINS;

EID: 77955582352     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp104406x     Document Type: Article

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