QM−FE and Molecular Dynamics Calculations on CatecholO-Methyltransferase:  Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction

QM−FE and Molecular Dynamics Calculations on CatecholO-Methyltransferase:  Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction

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http://www.wikidata.org/entity/Q30051453
Structure of protein phosphatase methyltransferase 1 (PPM1), a leucine carboxyl methyltransferase involved in the regulation of protein phosphatase 2A activityIdentification of the third binding site of arsenic in human arsenic (III) methyltransferaseMolecular dynamics simulations of the enzyme catechol-O-methyltransferase: methodological issues.Structural mechanism of S-adenosyl methionine binding to catechol O-methyltransferase.Residues in human arsenic (+3 oxidation state) methyltransferase forming potential hydrogen bond network around S-adenosylmethionine.Theoretical insights in enzyme catalysis.Mediation of donor-acceptor distance in an enzymatic methyl transfer reactionApplication of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactionsComputational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase.Recent updates in the treatment of neurodegenerative disorders using natural compounds.Simulating enzyme reactions: challenges and perspectives.Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization.Functional evaluation of Asp76, 84, 102 and 150 in human arsenic(III) methyltransferase (hAS3MT) interacting with S-adenosylmethionine.Computation of the binding affinities of catechol-O-methyltransferase inhibitors: multisubstate relative free energy calculations.Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.Quantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation
P2860

QM−FE and Molecular Dynamics Calculations on CatecholO-Methyltransferase:  Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction

Item
http://www.wikidata.org/entity/Q30051453
description
2000 nî lūn-bûn
@nan
2000 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի մարտին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
@ast
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
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type
label
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
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QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
@en
prefLabel
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
@ast
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
@en
P1433
P1476
P2093
P304
P31
P3181
P356
P407
P433
P478
P50
P577
P921
P3181
P356
P1433
P1476
QM−FE and Molecular Dynamics C ...... the Enzyme-Catalyzed Reaction
@en
P2093
P304
P31
P3181
P356
P407
P433
P478
P50
P577
P921