A fast and simple method to calculate protonation states in proteins

Proteins: Structure, Function and Genetics

Volumn 36, Issue 4, 1999, Pages 474-483

  Sandberg, Lars ^a   Edholm, Olle ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Distance dependent dielectric; Electrostatics; Ionizable groups; pK ; Titration curves

Indexed keywords

ARTICLE; ELECTRIC POTENTIAL; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTON TRANSPORT;

ALGORITHMS; BACTERIORHODOPSINS; CALCIUM-BINDING PROTEIN, VITAMIN D-DEPENDENT; COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN-ION CONCENTRATION; ISOELECTRIC POINT; MODELS, CHEMICAL; MONTE CARLO METHOD; MURAMIDASE; MYOGLOBIN; POISSON DISTRIBUTION; PROTEINS; PROTONS; SOLVENTS; THERMODYNAMICS; TIME FACTORS; TITRIMETRY;

EID: 0032769471     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19990901)36:4<474::AID-PROT12>3.0.CO;2-V     Document Type: Article

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