Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor

G protein‐coupled receptors (GPCRs) are valuable therapeutic targets for many diseases. A central question of GPCR drug discovery is to understand what determines the agonism or antagonism of ligands that bind them. Ligands exert their action via the interactions in the ligand binding pocket. We hyp...

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Detalles Bibliográficos
Autores principales: Jiménez‐Rosés, Mireia, Morgan, Bradley Angus, Jimenez Sigstad, Maria, Tran, Thuy Duong Zoe, Srivastava, Rohini, Bunsuz, Asuman, Borrega‐Román, Leire, Hompluem, Pattarin, Cullum, Sean A., Harwood, Clare R., Koers, Eline J., Sykes, David A., Styles, Iain B., Veprintsev, Dmitry B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Original Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9418666/
https://www.ncbi.nlm.nih.gov/pubmed/36029004
http://dx.doi.org/10.1002/prp2.994

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