Improving the desolvation penalty in empirical protein pK a modeling

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 1097-1106

  Olsson, Mats H M ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Desolvation; PK a; PROPKA; Protein modeling; Solvation

Indexed keywords

CYCLIC AMP DEPENDENT PROTEIN KINASE; SOLVENT;

ARTICLE; DIELECTRIC CONSTANT; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR MODEL; MONTE CARLO METHOD; NORMAL DISTRIBUTION; POISSON DISTRIBUTION; PRIORITY JOURNAL; SOLVATION;

HYDROGEN-ION CONCENTRATION; MODELS, MOLECULAR; PROTEINS; SOLVENTS;

EID: 84861332261     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1141-1     Document Type: Article

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