Free-Energy Calculations for Bioisosteric Modifications of A3 Adenosine Receptor Antagonists

Zuzana Jandova, Willem Jespers, Eddy Sotelo, Hugo Gutiérrez-de-Terán and Chris Oostenbrink

Int. J. Mol. Sci. 2019, 20(14), 3499 https://www.mdpi.com/1422-0067/20/14/3499