Concordance of X-ray and AlphaFold2 Models of SARS-CoV-2 Main Protease with Residual Dipolar Couplings Measured in Solution

[Image: see text] The 68-kDa homodimeric 3C-like protease of SARS-CoV-2, M(pro) (3CLpro/Nsp5), is a promising antiviral drug target. We evaluate the concordance of models generated by the newly introduced AlphaFold2 structure prediction program with residual dipolar couplings (RDCs) measured in solu...

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Detalles Bibliográficos
Autores principales: Robertson, Angus J., Courtney, Joseph M., Shen, Yang, Ying, Jinfa, Bax, Ad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8592127/
https://www.ncbi.nlm.nih.gov/pubmed/34757725
http://dx.doi.org/10.1021/jacs.1c10588

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8592127/
https://www.ncbi.nlm.nih.gov/pubmed/34757725
http://dx.doi.org/10.1021/jacs.1c10588

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