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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Title
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
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 3, Pages 1334-1346
Publisher
American Chemical Society (ACS)
Online
2013-01-23
DOI
10.1021/ct300933y

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