Deciphering the Agonist Binding Mechanism to the Adenosine A1 Receptor
G. Deganutti, K. Barkan, B. Preti, M. Leuenberger, M. Wall, B. Frenguelli, M. Lochner, G. Ladds, C. A. Reynolds
The paper uses molecular dynamics simulations and mutagenesis to study agonist binding to the A1 receptor, identifying new residues and binding modes of CPA-related ligands.
bioRxiv · Oct 22, 2020Pharmacology & Toxicology