BioinformaticsPharmacology Research & PerspectivesPeer-reviewed
Combined docking and machine learning identifies key molecular determinants of ligand pharmacological activity on β2 adrenoceptor.
Mireia Jiménez‐Rosés, Bradley Angus Morgan, Maria Jimenez Sigstad…·Dmitry B. Veprintsev
The paper uses docking and machine learning to identify molecular interactions that determine agonist or antagonist activity of β2 adrenoceptor ligands.
15 citations