Improved pKa prediction: Combining empirical and semimicroscopic methods

Journal of Computational Chemistry

Volumn 29, Issue 15, 2008, Pages 2575-2581

  Kieseritzky, Gernot ^a   Knapp, E W ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Consensus; Electrostatic; Empirical; Karlsberg; pKa; PROPKA

Indexed keywords

ELECTROSTATICS; FORECASTING;

CONSENSUS; ELECTROSTATIC; EMPIRICAL; KARLSBERG; PKA; PROPKA;

EXPERIMENTS;

PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; KINETICS; STATIC ELECTRICITY; THERMODYNAMICS;

ALGORITHMS; KINETICS; MODELS, CHEMICAL; PROTEINS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 55549114049     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20999     Document Type: Article

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