Inhibitor induced conformational changes in SARS-COV-2 papain-like protease

SARS-CoV-2’s papain-like protease (PL(pro)) interaction with ligands has recently been explored with a myriad of crystal structures. We used molecular dynamics (MD) simulations to study different PL(pro)-ligand complexes, their ligand-induced conformational changes, and interactions. We focused on i...

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Detalles Bibliográficos
Autores principales: Ferreira, Glaucio Monteiro, Pillaiyar, Thanigaimalai, Hirata, Mario Hiroyuki, Poso, Antti, Kronenberger, Thales
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9270405/
https://www.ncbi.nlm.nih.gov/pubmed/35803957
http://dx.doi.org/10.1038/s41598-022-15181-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9270405/
https://www.ncbi.nlm.nih.gov/pubmed/35803957
http://dx.doi.org/10.1038/s41598-022-15181-y

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