Single-step perturbations to calculate free energy differences from unphysical reference states
Limits on size, flexibility, and character
Metadata only
Date
2003-11-15Type
- Journal Article
Publication status
publishedJournal / series
Journal of computational chemistryVolume
Pages / Article No.
Publisher
WileySubject
Molecular dynamics simulation; Single-step perturbation; Soft-core interaction; Factor Xa; Free-energy calculationOrganisational unit
03304 - Van Gunsteren, Wilfred F. (emeritus)
Notes
Received 23 January 2003, Accepted 21 March 2003, Published online 26 August 2003.More
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