Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Willem Jespers, Laura H. Heitman, Adriaan P. IJzerman, Eddy Sotelo, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutie ́rrez-de-Tera ́n

PLOS Computational Biology., 2021, 17, e1009152

https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009152