Exploring nucleoside hydrolase catalysis in Silico: Molecular dynamics study of enzyme-bound substrate and transition state

Journal of the American Chemical Society

Volumn 124, Issue 49, 2002, Pages 14591-14600

  Mazumder, Devleena ^a   Bruice, Thomas C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTICORRELATION MOTION;

BOUNDARY CONDITIONS; CATALYSIS; CONFORMATIONS; CRYSTAL STRUCTURE; HYDROGEN BONDS; MOLECULAR DYNAMICS; RANDOM PROCESSES; SILICON; SUBSTRATES;

ENZYMES;

ANILINE; ARGININE; ASPARAGINE; ASPARTIC ACID; HISTIDINE; HYPOXANTHINE; INOSINE; ION; META TYROSINE; NUCLEIC ACID BASE; NUCLEOSIDASE; PROTON; RIBOSE; URIDINE; WATER;

ARTICLE; CATALYSIS; CATALYST; COMPUTER MODEL; CRYSTAL STRUCTURE; DISSOCIATION; ENZYME BINDING; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOLECULAR DYNAMICS; MUTANT; PH; PROTEIN INTERACTION; PROTON TRANSPORT; SIMULATION; STOCHASTIC MODEL; X RAY CRYSTALLOGRAPHY;

ANIMALS; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; CRITHIDIA FASCICULATA; HYDROGEN BONDING; HYPOXANTHINE; INOSINE; KINETICS; MODELS, MOLECULAR; N-GLYCOSYL HYDROLASES; THERMODYNAMICS;

EID: 0037065294     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja021088e     Document Type: Article

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