Efficient Combination of Environment Change and Alchemical Perturbation within the Enveloping Distribution Sampling (EDS) Scheme
Twin-System EDS and Application to the Determination of Octanol-Water Partition Coefficients
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Date
2013-03Type
- Journal Article
Publication status
publishedJournal / series
Journal of Chemical Theory and ComputationVolume
Pages / Article No.
Publisher
American Chemical SocietyOrganisational unit
03304 - Van Gunsteren, Wilfred F. (emeritus)
Notes
Received 27 October 2012.More
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