Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase
about
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsFundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.Fundamental reaction pathway and free energy profile of proteasome inhibition by syringolin A (SylA).Fundamental reaction pathway for peptide metabolism by proteasome: insights from first-principles quantum mechanical/molecular mechanical free energy calculationsReaction Pathway for Cocaine Hydrolase-Catalyzed Hydrolysis of (+)-Cocaine.Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroin.Fundamental reaction pathway and free energy profile for inhibition of proteasome by Epoxomicin.Is it possible to reverse aged acetylcholinesterase inhibited by organophosphorus compounds? Insight from the theoretical study.Why does the G117H mutation considerably improve the activity of human butyrylcholinesterase against sarin? Insights from quantum mechanical/molecular mechanical free energy calculations.Quantum mechanics implementation in drug-design workflows: does it really help?Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine.Aging mechanism of soman inhibited acetylcholinesterase.Reaction pathway and free energy profile for papain-catalyzed hydrolysis of N-acetyl-Phe-Gly 4-nitroanilide.How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics study.Reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of acetylcholine.Molecular basis of the selectivity of the immunoproteasome catalytic subunit LMP2-specific inhibitor revealed by molecular modeling and dynamics simulations.Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents.Catalytic Mechanisms for Cofactor-Free Oxidase-Catalyzed Reactions: Reaction Pathways of Uricase-Catalyzed Oxidation and Hydration of Uric Acid.On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach.
P2860
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P2860
Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Reaction pathway and free-ener ...... ted human acetylcholinesterase
@en
type
label
Reaction pathway and free-ener ...... ted human acetylcholinesterase
@en
prefLabel
Reaction pathway and free-ener ...... ted human acetylcholinesterase
@en
P2860
P356
P1476
Reaction pathway and free-ener ...... ted human acetylcholinesterase
@en
P2093
Chang-Guo Zhan
Yingkai Zhang
P2860
P304
16226-16236
P356
10.1021/JP9055335
P407
P50
P577
2009-12-01T00:00:00Z