Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism

Proteins: Structure, Function and Bioinformatics

Volumn 82, Issue 7, 2014, Pages 1319-1331

  Goh, Garrett B ^a   Hulbert, Benjamin S ^a   Zhou, Huiqing ^a   Brooks, Charles L ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

CPHMD; Explicit solvent; Molecular dynamics; PH; Protein dynamics; Protein electrostatics; dynamics

Indexed keywords

ASPARTIC ACID; GLUTAMIC ACID; HEN EGG WHITE LYSOZYME; HISTIDINE; HYDROGEN; ION CHANNEL; LYSINE; LYSOZYME; MEMBRANE PROTEIN; OXOGLUTARATE DEHYDROGENASE; PROTON; RIBOSOMAL PROTEIN L9; RIBOSOME PROTEIN; SOLVENT; UNCLASSIFIED DRUG; PROTEIN;

ARTICLE; CONTROLLED STUDY; ELECTRON; ELECTRON TRANSPORT; HYDROGEN BOND; IONIC STRENGTH; MOLECULAR DYNAMICS; NUCLEIC ACID STRUCTURE; PH; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTON TRANSPORT; STATIC ELECTRICITY; TAUTOMER; CHEMISTRY; ISOMERISM; METABOLISM;

HYDROGEN-ION CONCENTRATION; ISOMERISM; MOLECULAR DYNAMICS SIMULATION; PROTEINS; STATIC ELECTRICITY;

EID: 84902127084     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24499     Document Type: Article

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