Assessing potential inhibitors of SARS-CoV-2 main protease from available drugs using free energy perturbation simulations

The main protease (Mpro) of the novel coronavirus SARS-CoV-2, which has caused the COVID-19 pandemic, is responsible for the maturation of its key proteins. Thus, inhibiting SARS-CoV-2 Mpro could prevent SARS-CoV-2 from multiplying. Because new inhibitors require thorough validation, repurposing cur...

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Detalles Bibliográficos
Autores principales: Ngo, Son Tung, Nguyen, Hung Minh, Thuy Huong, Le Thi, Quan, Pham Minh, Truong, Vi Khanh, Tung, Nguyen Thanh, Vu, Van V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9119318/
https://www.ncbi.nlm.nih.gov/pubmed/35692857
http://dx.doi.org/10.1039/d0ra07352k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9119318/
https://www.ncbi.nlm.nih.gov/pubmed/35692857
http://dx.doi.org/10.1039/d0ra07352k

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