X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists

Citation
Jespers, W., Verdon, G., Azuaje, J., Majellaro, M., Keränen, H., García‐Mera, X., Congreve, M., Deflorian, F., de Graaf, C., Zhukov, A., Doré, A. S., Mason, J. S., Åqvist, J., Cooke, R. M., Sotelo, E., & Gutiérrez‐de‐Terán, H. (2020). X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists. Angewandte Chemie International Edition, 59(38), 16536–16543. Portico. https://doi.org/10.1002/anie.202003788
DOI:
DOI: 10.1002/anie.202003788
Year of publication:
2020
Authors participating in BCBHub:
Hugo Gutiérrez de Terán Castañón