docking.org will be going offline Monday June 17 and Tuesday June 18th. This is for building maintenance and is beyond our control. We plan to be back on Wednesday.

DUDE, ZINC, SEA and other docking.org services are back! What else? excipients, aggregator advisor, DUDEZ, our wiki, TLDR, AB3, chemistry commons ... everything should be back.

Next time you need property-matched decoys to benchmark your molecular docking project, we suggest you try DUDEZ.docking.org, the new version of DUDE.docking.org. DUDEZ also offers "goldilocks" and "extrema" sets as described in Stein et al JCIM. 2021, 61, 2, 699–714

Come see Justin English’s talk if you are around! He is doing awesome work at the intersection of syn bio, gpcr pharmacology, and genomics!

Yale Chemistry has faculty openings. apply.interfolio.com/150561

Can AlphaFold be useful in drug discovery? Hell yes! In our paper, structure-based virtual screens using AlphaFold models identify potent GPCR ligands with antipsychotic effects in vivo (science.org/doi/10.1126/sc…). KAW Uppsala University Karolinska Institutet SciLifeLab

Our results complement recently published work from BryanRoth and Brian Shoichet demonstrating high virtual screening hit rates using AlphaFold models of serotonin receptors (science.org/doi/10.1126/sc…).