Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations

Drug design is a time-consuming and cumbersome process due to the vast search space of drug-like molecules and the difficulty of investigating atomic and electronic interactions. The present paper proposes a computational drug design workflow that combines artificial intelligence (AI) methods, i.e.,...

Descripción completa

Detalles Bibliográficos
Autores principales: Elend, Lars, Jacobsen, Luise, Cofala, Tim, Prellberg, Jonas, Teusch, Thomas, Kramer, Oliver, Solov’yov, Ilia A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268208/
https://www.ncbi.nlm.nih.gov/pubmed/35807268
http://dx.doi.org/10.3390/molecules27134020

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268208/
https://www.ncbi.nlm.nih.gov/pubmed/35807268
http://dx.doi.org/10.3390/molecules27134020

Ejemplares similares