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Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation

The weighted histogram analysis method (WHAM) including its binless extension has been developed independently in several different contexts, and widely used in chemistry, physics, and statistics, for computing free energies and expectations from multiple ensembles. However, this method, while stati...

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Библиографические подробности
Опубликовано в: :J Chem Phys
Главные авторы: Tan, Zhiqiang, Xia, Junchao, Zhang, Bin W., Levy, Ronald M.
Формат: Artigo
Язык:Inglês
Опубликовано: AIP Publishing LLC 2016
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4729400/
https://ncbi.nlm.nih.gov/pubmed/26801020
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4939768
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