Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics

The development of new drugs is a very complex and time-consuming process, and for this reason, researchers have been resorting heavily to drug repurposing techniques as an alternative for the treatment of various diseases. This approach is especially interesting when it comes to emerging diseases w...

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Detalles Bibliográficos
Autores principales: Gomes, Isabela de Souza, Santana, Charles Abreu, Marcolino, Leandro Soriano, de Lima, Leonardo Henrique França, de Melo-Minardi, Raquel Cardoso, Dias, Roberto Sousa, de Paula, Sérgio Oliveira, Silveira, Sabrina de Azevedo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032443/
https://www.ncbi.nlm.nih.gov/pubmed/35452494
http://dx.doi.org/10.1371/journal.pone.0267471

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032443/
https://www.ncbi.nlm.nih.gov/pubmed/35452494
http://dx.doi.org/10.1371/journal.pone.0267471

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