Science Daily  May 16, 2024 AlphaFold2 (AF2) models have had wide impact, but they have had mixed success in retrospective ligand recognition. An international team of researchers (USA – UC San Francisco, University of North Carolina, Harvard University, Stanford University, Ukraine) prospectively docked large libraries against unrefined AF2 models of the σ2 and 5-HT2A receptors, testing hundreds of new molecules and comparing results to docking against the experimental structures. Hit rates were high and similar for the experimental and the AF2 structures, as were affinities. The success of docking against the AF2 models was achieved despite differences in orthosteric residue […]