AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology

Identifying ligands targeting G protein coupled receptors (GPCRs) with novel chemotypes other than the physiological ligands is a challenge for in silico screening campaigns. Here we present an approach that identifies novel chemotype ligands by combining structural data with a random forest agonist...

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Detalles Bibliográficos
Autores principales: Goßen, Jonas, Ribeiro, Rui Pedro, Bier, Dirk, Neumaier, Bernd, Carloni, Paolo, Giorgetti, Alejandro, Rossetti, Giulia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10430665/
https://www.ncbi.nlm.nih.gov/pubmed/37592985
http://dx.doi.org/10.1039/d3sc02352d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10430665/
https://www.ncbi.nlm.nih.gov/pubmed/37592985
http://dx.doi.org/10.1039/d3sc02352d

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