Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by Free Energy simulations
H. Gutierrez de Teran, W. Jespers, L. H. Heitman, A. P. IJzerman, E. Sotelo, G. J. P. van Westen, J. Aqvist
This paper uses free energy simulations to study conformational selectivity in the A2A adenosine receptor, revealing how ligands and mutations affect receptor activation and pharmacological profiles.
bioRxiv · Jun 9, 2021Biophysics