Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: An ab initio QM/MM-FE study with multiple initial structures

Journal of the American Chemical Society

Volumn 128, Issue 4, 2006, Pages 1272-1278

  Hu, Po ^a   Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CONFORMATIONS; ENZYMES; GENETIC ENGINEERING; MOLECULAR DYNAMICS; PRODUCT DESIGN; QUANTUM THEORY;

CATALYTIC MECHANISM; HISTONE LYSINE METHYLTRANSFERASE SET7/9; MONOMETHYLTRANSFERASE; QUANTUM MECHANICAL/MOLECULAR MECHANICAL FREE ENERGY (QM/MM-FE);

ENZYME KINETICS;

DNA; HISTONE LYSINE METHYLTRANSFERASE;

AB INITIO CALCULATION; ARTICLE; CATALYSIS; CHEMICAL REACTION; CHROMATIN STRUCTURE; DNA REPAIR; ENERGY; ENZYME ACTIVITY; ENZYME SPECIFICITY; METHYLATION; MOLECULAR DYNAMICS; QUANTUM MECHANICS;

CATALYSIS; HISTONE-LYSINE N-METHYLTRANSFERASE; KINETICS; METHYLATION; MODELS, MOLECULAR; QUANTUM THEORY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 31944437048     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja056153+     Document Type: Article

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