QM/MM MD and free energy simulations of the methylation reactions catalyzed by protein arginine methyltransferase PRMT3

Canadian Journal of Chemistry

Volumn 91, Issue 7, 2013, Pages 605-612

  Chu, Yuzhuo ^a   Li, Guohui ^b   Guo, Hong ^a,c  

^a UNIVERSITY OF TENNESSEE   (United States)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

MD and free energy simulations; Product specificity; Protein arginine methyltransferases; QM MM; Reaction mechanism

Indexed keywords

FREE ENERGY SIMULATIONS; METHYLTRANSFERASES; PRODUCT SPECIFICITY; QM/MM; REACTION MECHANISM;

ALKYLATION; CATALYSIS; FREE ENERGY; FUNCTIONAL GROUPS; METHYLATION; MOLECULAR DYNAMICS; MOLECULAR MODELING; PROTEINS; PROTON TRANSFER; REACTION KINETICS;

ARGININE;

EID: 84879394415     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/cjc-2012-0483     Document Type: Article

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