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Validation of X-ray Crystal Structure Ensemble Representations of SARS-CoV-2 Main Protease by Solution NMR Residual Dipolar Couplings

Considerable debate has focused on whether sampling of molecular dynamics trajectories restrained by crystallographic data can be used to develop realistic ensemble models for proteins in their natural, solution state. For the SARS-CoV-2 main protease, M(pro), we evaluated agreement between solution...

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Detalles Bibliográficos
Autores principales:	Shen, Yang, Robertson, Angus J., Bax, Ad
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2023
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10270724/ https://www.ncbi.nlm.nih.gov/pubmed/37330294 http://dx.doi.org/10.1016/j.jmb.2023.168067

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