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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Detalles Bibliográficos
Autores principales: Köfinger, Jürgen, Stelzl, Lukas S., Reuter, Klaus, Allande, César, Reichel, Katrin, Hummer, Gerhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

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