Cargando…
Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations
Inhibiting the biological activity of SARS-CoV-2 Mpro can prevent viral replication. In this context, a hybrid approach using knowledge- and physics-based methods was proposed to characterize potential inhibitors for SARS-CoV-2 Mpro. Initially, supervised machine learning (ML) models were trained to...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier B.V.
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9511900/ https://www.ncbi.nlm.nih.gov/pubmed/36188488 http://dx.doi.org/10.1016/j.chemphys.2022.111709 |