QM/MM MD and Free Energy Simulation Study of Methyl Transfer Processes Catalyzed by PKMTs and PRMTs.

Autor:	Chu, Yuzhuo, Guo, Hong
Předmět:	PROTEIN arginine methyltransferases METHYLTRANSFERASES PROTEIN arginine methyltransferases regulation METHYLTRANSFERASE regulation CELL communication MOLECULAR dynamics FREE energy (Thermodynamics)
Zdroj:	Interdisciplinary Sciences: Computational Life Sciences; Sep2015, Vol. 7 Issue 3, p309-318, 10p
Abstrakt:	Methyl transfer processes catalyzed by protein lysine methyltransferases (PKMTs) and protein arginine methyltransferases (PRMTs) control important biological events including transcriptional regulation and cell signaling. One important property of these enzymes is that different PKMTs and PRMTs catalyze the formation of different methylated product (product specificity). These different methylation states lead to different biological outcomes. Here, we review the results of quantum mechanics/molecular mechanics molecular dynamics and free energy simulations that have been performed to study the reaction mechanism of PKMTs and PRMTs and the mechanism underlying the product specificity of the methyl transfer processes. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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