Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M(pro)) elucidated by microsecond MD simulations

As the world enters its second year of the pandemic caused by SARS-CoV-2, intense efforts have been directed to develop an effective diagnosis, prevention, and treatment strategies. One promising drug target to design COVID-19 treatments is the SARS-CoV-2 M(pro). To date, a comparative understanding...

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Detalles Bibliográficos
Autores principales: Hayek-Orduz, Yasser, Vásquez, Andrés Felipe, Villegas-Torres, María Francisca, Caicedo, Paola A., Achenie, Luke E. K., González Barrios, Andrés Fernando
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/PMC9386674/
https://www.ncbi.nlm.nih.gov/pubmed/35982147
http://dx.doi.org/10.1038/s41598-022-17204-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9386674/
https://www.ncbi.nlm.nih.gov/pubmed/35982147
http://dx.doi.org/10.1038/s41598-022-17204-0

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