X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists | Eddy Sotelo's Research Group - USC

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists

Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen,^†Xerardo García-Mera, Miles Congreve, Francesca Deflorian, Chris de Graaf, Andrei Zhukov, Andrew S. Doré, Jonathan S. Mason, Johan Åqvist,Robert M. Cooke, Eddy Sotelo and Hugo Gutiérrez-de-Terán

Angew. Chem. Int. Ed., 2020, 59 https://doi.org/10.1002/anie.202003788