Reaction pathway and free energy profile for prechemical reaction step of human butyrylcholinesterase-catalyzed hydrolysis of (-)-cocaine by combined targeted molecular dynamics and potential of mean force simulations.
about
GDP release preferentially occurs on the phosphate side in heterotrimeric G-proteinsReaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-CocaineStudy on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions.Human butyrylcholinesterase-cocaine binding pathway and free energy profiles by molecular dynamics and potential of mean force simulations.Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.
P2860
Reaction pathway and free energy profile for prechemical reaction step of human butyrylcholinesterase-catalyzed hydrolysis of (-)-cocaine by combined targeted molecular dynamics and potential of mean force simulations.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh
2010年學術文章
@zh-hant
name
Reaction pathway and free ener ...... ial of mean force simulations.
@en
Reaction pathway and free ener ...... terase-catalyzed hydrolysis of
@nl
type
label
Reaction pathway and free ener ...... ial of mean force simulations.
@en
Reaction pathway and free ener ...... terase-catalyzed hydrolysis of
@nl
prefLabel
Reaction pathway and free ener ...... ial of mean force simulations.
@en
Reaction pathway and free ener ...... terase-catalyzed hydrolysis of
@nl
P2093
P2860
P356
P1476
Reaction pathway and free ener ...... ial of mean force simulations.
@en
P2093
Chang-Guo Zhan
Fang Zheng
Xiaoqin Huang
Yongmei Pan
P2860
P304
13545-13554
P356
10.1021/JP106539W
P407
P577
2010-10-01T00:00:00Z