A great article, co-authored by Olga Tarkhanova and Yurii Moroz, is out!


This work is dedicated to exploring AlphaFold2 structures in ligand discovery. The authors have docked large libraries against AF2 models of the α2 and 5-HT2A receptors, testing hundreds of new molecules. Despite differences in orthosteric residue conformations, the result showed high hit rates and affinities similar to experimental structures. 


Congratulations to all the authors!  

Full text here: DOI: 10.1126/science.adn6354


Chemspace Publications |  AlphaFold2 structures guide prospective ligand discovery