Skip to main content

Research Repository

Advanced Search

All Outputs (1)

Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor (2022)
Journal Article
Jiménez-Rosés, M., Morgan, B. A., Jimenez Sigstad, M., Tran, T. D. Z., Srivastava, R., Bunsuz, A., …Veprintsev, D. B. (2022). Combined docking and machine learning identify key molecular determinants of ligand pharmacological activity on β2 adrenoceptor. Pharmacology Research and Perspectives, 10(5), Article e00994. https://doi.org/10.1002/prp2.994

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