Protonate3D: Assignment of ionization states and hydrogen coordinates to macromolecular structures

Proteins: Structure, Function and Bioinformatics

Volumn 75, Issue 1, 2009, Pages 187-205

  Labute, Paul ^a  

^a INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

Author keywords

Macromolecular protonation states; Protein titration; Unary quadratic optimization

Indexed keywords

AMIDE; AMINE; HYDROGEN; HYDROXYL GROUP; IMIDAZOLE; METHYL GROUP; PHENOL;

ARTICLE; CRYSTALLIZATION; IONIZATION; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTON TRANSPORT; SOLVATION; X RAY DIFFRACTION;

COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; HYDROGEN; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; PROTONS; THERMODYNAMICS; TITRIMETRY;

EID: 65249157397     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22234     Document Type: Article

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