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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...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2019
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6727217/ https://ncbi.nlm.nih.gov/pubmed/30939006 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01231 |
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