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Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation


Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina (2016). Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation. Journal of Chemical Physics, 145(15):154114.

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Item Type:Journal Article, refereed, original work
Communities & Collections:06 Faculty of Arts > Institute of Philosophy
Dewey Decimal Classification:100 Philosophy
Scopus Subject Areas:Physical Sciences > General Physics and Astronomy
Physical Sciences > Physical and Theoretical Chemistry
Language:English
Date:21 October 2016
Deposited On:07 Jan 2020 10:58
Last Modified:31 Jul 2020 03:44
Publisher:American Institute of Physics
ISSN:0021-9606
OA Status:Green
Publisher DOI:https://doi.org/10.1063/1.4964781

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