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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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| Publicado no: | J Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2016
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| Assuntos: | |
| Acesso em linha: | 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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