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Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation

In the rapidly evolving coronavirus disease (COVID-19) pandemic, repurposing existing drugs and evaluating commercially available inhibitors against druggable targets of the virus could be an effective strategy to accelerate the drug discovery process. The 3C-Like proteinase (3CL(pro)) of the severe...

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Detalles Bibliográficos
Autores principales:	Keretsu, Seketoulie, Bhujbal, Swapnil P., Cho, Seung Joo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7572583/ https://www.ncbi.nlm.nih.gov/pubmed/33077821 http://dx.doi.org/10.1038/s41598-020-74468-0

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