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Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro

The dengue protease NS2B/NS3pro has been reported to adopt either an ‘open’ or a ‘closed’ conformation. We have developed a conformational filter that combines NMR with MD simulations to identify conformational ensembles that dominate in solution. Experimental values derived from relaxation paramete...

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Detalles Bibliográficos
Autores principales:	Agback, Tatiana, Lesovoy, Dmitry, Han, Xiao, Lomzov, Alexander, Sun, Renhua, Sandalova, Tatyana, Orekhov, Vladislav Yu., Achour, Adnane, Agback, Peter
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673835/ https://www.ncbi.nlm.nih.gov/pubmed/38001280 http://dx.doi.org/10.1038/s42003-023-05584-6

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