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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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שמור ב:
מידע ביבליוגרפי
הוצא לאור ב:J Chem Phys
Main Authors: Tan, Zhiqiang, Xia, Junchao, Zhang, Bin W., Levy, Ronald M.
פורמט: Artigo
שפה:Inglês
יצא לאור: AIP Publishing LLC 2016
נושאים:
גישה מקוונת: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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