A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.
about
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling correctionsDissociation of minor groove binders from DNA: insights from metadynamics simulations.Perspective on the reactions between F- and CH3CH2F: the free energy landscape of the E2 and SN2 reaction channelsUsing metadynamics to understand the mechanism of calmodulin/target recognition at atomic detail.Insight into the folding inhibition of the HIV-1 protease by a small peptideConformational change path between closed and open forms of C2 domain of coagulation factor V on a two-dimensional free-energy surface.A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers.Adaptively biased molecular dynamics for free energy calculations.Nudged-elastic band used to find reaction coordinates based on the free energy.Obtaining reaction coordinates by likelihood maximization.An algorithm to find minimum free-energy paths using umbrella integration.Calculation of free energy landscapes: a histogram reweighted metadynamics approach.Simulation of structural phase transitions by metadynamics
P2860
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P2860
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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name
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@en
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@nl
type
label
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@en
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@nl
prefLabel
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@en
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@nl
P50
P356
P1476
A minimum free energy reaction ...... oro ethane and a fluoride ion.
@en
P2093
Michael L Klein
Michele Parrinello
P304
P356
10.1021/JA048285T
P407
P577
2004-08-01T00:00:00Z