How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulations.
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Histone methyltransferases: novel targets for tumor and developmental defectsTranscriptional regulation by the Set7 lysine methyltransferaseModeling a new water channel that allows SET9 to dimethylate p53Structural origins for the product specificity of SET domain protein methyltransferasesSET7/9 Catalytic Mutants Reveal the Role of Active Site Water Molecules in Lysine Multiple MethylationCatalytic and functional roles of conserved amino acids in the SET domain of the S. cerevisiae lysine methyltransferase Set1Polymerase-tailored variations in the water-mediated and substrate-assisted mechanism for nucleotidyl transfer: insights from a study of T7 DNA polymerase.Preferred WMSA catalytic mechanism of the nucleotidyl transfer reaction in human DNA polymerase κ elucidates error-free bypass of a bulky DNA lesion.Revelation of a catalytic calcium-binding site elucidates unusual metal dependence of a human apyraseBorn-Oppenheimer ab initio QM/MM molecular dynamics simulations of the hydrolysis reaction catalyzed by protein arginine deiminase 4.Catalytic reaction mechanism of acetylcholinesterase determined by Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.QM/MM MD and free energy simulations of G9a-like protein (GLP) and its mutants: understanding the factors that determine the product specificityAb initio QM/MM free-energy studies of arginine deiminase catalysis: the protonation state of the Cys nucleophileGenome-wide identification, phylogenetic and co-expression analysis of OsSET gene family in riceDirect evidence for methyl group coordination by carbon-oxygen hydrogen bonds in the lysine methyltransferase SET7/9Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations.Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediate.Insights into the phosphoryl transfer mechanism of cyclin-dependent protein kinases from ab initio QM/MM free-energy studies.Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-CocaineDNA cytosine methylation: structural and thermodynamic characterization of the epigenetic marking mechanism.Interfacing ab initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical Reactions.Chemical mechanisms of histone lysine and arginine modificationsDetermination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulationsFundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esteraseMolecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.SET7/9 mediated methylation of non-histone proteins in mammalian cells.Targets in epigenetics: inhibiting the methyl writers of the histone codeQM/MM MD and free energy simulation study of methyl transfer processes catalyzed by PKMTs and PRMTs.Reaction Pathway for Cocaine Hydrolase-Catalyzed Hydrolysis of (+)-Cocaine.A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation.Sirtuin Deacetylation Mechanism and Catalytic Role of the Dynamic Cofactor Binding Loop.Why does the G117H mutation considerably improve the activity of human butyrylcholinesterase against sarin? Insights from quantum mechanical/molecular mechanical free energy calculations.Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesteraseCatalytic mechanism of cytochrome P450 for 5'-hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity.Aging mechanism of soman inhibited acetylcholinesterase.A proton-shuttle reaction mechanism for histone deacetylase 8 and the catalytic role of metal ionsReaction mechanism for cocaine esterase-catalyzed hydrolyses of (+)- and (-)-cocaine: unexpected common rate-determining step.How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics study.
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How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulations.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
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artigo científico
@pt
bilimsel makale
@tr
scientific article published on March 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
How do SET-domain protein lysi ...... olecular dynamics simulations.
@en
How do SET-domain protein lysi ...... olecular dynamics simulations.
@nl
type
label
How do SET-domain protein lysi ...... olecular dynamics simulations.
@en
How do SET-domain protein lysi ...... olecular dynamics simulations.
@nl
prefLabel
How do SET-domain protein lysi ...... olecular dynamics simulations.
@en
How do SET-domain protein lysi ...... olecular dynamics simulations.
@nl
P2093
P2860
P356
P1476
How do SET-domain protein lysi ...... olecular dynamics simulations.
@en
P2093
Shenglong Wang
Yingkai Zhang
P2860
P304
P356
10.1021/JA075896N
P407
P577
2008-03-01T00:00:00Z