Drug Potency Prediction of SARS-CoV-2 Main Protease Inhibitors Based on a Graph Generative Model

The prediction of a ligand potency to inhibit SARS-CoV-2 main protease (M-pro) would be a highly helpful addition to a virtual screening process. The most potent compounds might then be the focus of further efforts to experimentally validate their potency and improve them. A computational method to...

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Detalles Bibliográficos
Autores principales: Fadlallah, Sarah, Julià, Carme, García-Vallvé, Santiago, Pujadas, Gerard, Serratosa, Francesc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10218534/
https://www.ncbi.nlm.nih.gov/pubmed/37240128
http://dx.doi.org/10.3390/ijms24108779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10218534/
https://www.ncbi.nlm.nih.gov/pubmed/37240128
http://dx.doi.org/10.3390/ijms24108779

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