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The article highlights their work using the protein-structure-prediction tool AlphaFold to identify potential new receptor ligands.

Bryan Roth, MD, PhD
Bryan Roth, MD, PhD, Michael Hooker Distinguished Professor of Pharmacology

Their research, that the article highlights, demonstrates that AlphaFold predictions could be as useful as experimentally-derived protein structures for drug discovery.

The research article that is referenced can be found in bioRxiv:

Jiankun Lyu, Nicholas Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish K. Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey DiBerto, Kuglae Kim, Tia A. Tummino, Sijie Huang, John J. Irwin, Olga O. Tarkhanova, Yurii Moroz, GeorgiosSkiniotis, Andrew C. Kruse, Brian K. Shoichet, Bryan L. Roth, AlphaFold2 structures template ligand discovery, bioRxiv 2023.12.20.572662; doi:

The Nature article, published January 18, 2024, that highlights their work can be read here: “AlphaFold found thousands of possible psychedelics. Will its predictions help drug discovery?” (