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

  1. Jespers, W.
  2. Verdon, G.
  3. Azuaje, J.
  4. Majellaro, M.
  5. Keränen, H.
  6. García-Mera, X.
  7. Congreve, M.
  8. Deflorian, F.
  9. de Graaf, C.
  10. Zhukov, A.
  11. Doré, A.S.
  12. Mason, J.S.
  13. Åqvist, J.
  14. Cooke, R.M.
  15. Sotelo, E.
  16. Gutiérrez-de-Terán, H.
Journal:
Angewandte Chemie - International Edition

ISSN: 1521-3773 1433-7851

Year of publication: 2020

Volume: 59

Issue: 38

Pages: 16536-16543

Type: Article

DOI: 10.1002/ANIE.202003788 GOOGLE SCHOLAR lock_openOpen access editor