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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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| Опубликовано в: : | J Chem Phys |
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| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
AIP Publishing LLC
2016
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| 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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