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dc.contributor.author
Hansen, Halvor S.
dc.contributor.author
Hünenberger, Philippe H.
dc.date.accessioned
2017-06-08T22:33:16Z
dc.date.available
2017-06-08T22:33:16Z
dc.date.issued
2010-01
dc.identifier.issn
0192-8651
dc.identifier.issn
1096-987X
dc.identifier.other
10.1002/jcc.21253
dc.identifier.uri
http://hdl.handle.net/20.500.11850/17400
dc.language.iso
en
dc.publisher
Wiley
dc.subject
Molecular dynamics
dc.subject
Free energy calculations
dc.subject
Local elevation
dc.subject
Umbrella sampling
dc.subject
Glucopyranose
dc.subject
Ring conformers
dc.title
Using the Local Elevation Method to Construct Optimized Umbrella Sampling Potentials
dc.type
Journal Article
ethz.title.subtitle
Calculation of the Relative Free Energies and Interconversion Barriers of Glucopyranose Ring Conformers in Water
ethz.journal.title
Journal of Computational Chemistry
ethz.journal.volume
31
ethz.journal.issue
1
ethz.journal.abbreviated
J Comput Chem
ethz.pages.start
1
ethz.pages.end
23
ethz.notes
Received 1 August 2008, Accepted 19 January 2009, Published online 1 May 2009.
ethz.identifier.wos
ethz.identifier.nebis
000019884
ethz.publication.place
New York
ethz.publication.status
published
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02515 - Laboratorium für Physikalische Chemie / Laboratory of Physical Chemistry::03304 - Van Gunsteren, Wilfred F. (emeritus)
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02515 - Laboratorium für Physikalische Chemie / Laboratory of Physical Chemistry::03304 - Van Gunsteren, Wilfred F. (emeritus)
ethz.date.deposited
2017-06-08T22:33:18Z
ethz.source
ECIT
ethz.identifier.importid
imp59364c793e8ef27563
ethz.ecitpid
pub:29375
ethz.eth
yes
ethz.availability
Metadata only
ethz.rosetta.installDate
2017-07-17T08:43:19Z
ethz.rosetta.lastUpdated
2021-02-14T05:57:05Z
ethz.rosetta.versionExported
true
ethz.COinS
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