A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemase

Journal of the American Chemical Society

Volumn 128, Issue 50, 2006, Pages 16345-16357

  Major, Dan Thomas ^a   Gao, Jiali ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENZYMES; ISOTOPES; PHOSPHATES; PROTONS; QUANTUM THEORY; REACTION KINETICS;

ALANINE RACEMIZATION REACTION; CARBON ACIDITY; PROTON ABSTRACTION; ZWITTERIONS;

AMINO ACIDS;

ALANINE; ALANINE RACEMASE; ALPHA AMINO ACID; AMPHOLYTE; CARBON; IMINE; ISOTOPE; PYRIDINE; PYRIDINIUM DERIVATIVE; PYRIDOXAL 5 PHOSPHATE; QUINONE DERIVATIVE; WATER;

ACIDITY; ARTICLE; CRYSTAL STRUCTURE; ENZYME MECHANISM; HYDROGEN BOND; MOLECULAR MECHANICS; MOLECULAR STABILITY; PROTON TRANSPORT; QUANTUM MECHANICS; RACEMIZATION; REACTION ANALYSIS; SIMULATION; SOLVATION;

ALANINE RACEMASE; AMINO ACIDS; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTONS; SCHIFF BASES;

EID: 33845569858     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066334r     Document Type: Article

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