Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis.
about
Enzyme-therapy approaches for the treatment of drug overdose and addiction.His-tag truncated butyrylcholinesterase as a useful construct for in vitro characterization of wild-type and variant butyrylcholinesterases.Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: a combined computational and experimental studyComputational design gains momentum in enzyme catalysis engineering.Reaction Pathway for Cocaine Hydrolase-Catalyzed Hydrolysis of (+)-Cocaine.Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation.Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.Cocaine esterase-cocaine binding process and the free energy profiles by molecular dynamics and potential of mean force simulations.Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine.Catalytic activities of a cocaine hydrolase engineered from human butyrylcholinesterase against (+)- and (-)-cocaine.Reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of acetylcholine.
P2860
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P2860
Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Free energy perturbation simul ...... se for (-)-cocaine hydrolysis.
@en
Free energy perturbation simul ...... uman butyrylcholinesterase for
@nl
type
label
Free energy perturbation simul ...... se for (-)-cocaine hydrolysis.
@en
Free energy perturbation simul ...... uman butyrylcholinesterase for
@nl
prefLabel
Free energy perturbation simul ...... se for (-)-cocaine hydrolysis.
@en
Free energy perturbation simul ...... uman butyrylcholinesterase for
@nl
P2093
P2860
P356
P1476
Free energy perturbation simul ...... se for (-)-cocaine hydrolysis.
@en
P2093
Chang-Guo Zhan
Daquan Gao
Fang Zheng
Wenchao Yang
Yongmei Pan
P2860
P304
10889-10896
P356
10.1021/JP104989B
P407
P577
2010-08-01T00:00:00Z