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Efficient Ensemble Refinement by Reweighting
[Image: see text] Ensemble refinement produces structural ensembles of flexible and dynamic biomolecules by integrating experimental data and molecular simulations. Here we present two efficient numerical methods to solve the computationally challenging maximum-entropy problem arising from a Bayesia...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727217/ https://www.ncbi.nlm.nih.gov/pubmed/30939006 http://dx.doi.org/10.1021/acs.jctc.8b01231 |