Using the Local Elevation Method to Construct Optimized Umbrella Sampling Potentials
Calculation of the Relative Free Energies and Interconversion Barriers of Glucopyranose Ring Conformers in Water
Metadata only
Date
2010-01Type
- Journal Article
Publication status
publishedExternal links
Journal / series
Journal of Computational ChemistryVolume
Pages / Article No.
Publisher
WileySubject
Molecular dynamics; Free energy calculations; Local elevation; Umbrella sampling; Glucopyranose; Ring conformersOrganisational unit
03304 - Van Gunsteren, Wilfred F. (emeritus)
Notes
Received 1 August 2008, Accepted 19 January 2009, Published online 1 May 2009.More
Show all metadata