CACHE 7 is launched with support from the @gatesfoundation.bsky.social and unpublished data from Damian Young at @bcmhouston.bsky.social, Tim Willson @thesgc.bsky.social and Neelagandan Kamaria InSTEM. Design selective PGK2 inhibitors. We'll test them experimentally.
bit.ly/4lnVYOs

CACHE4 results are out! All previously known CBLCB ligands shared the same scaffold. Congrats to Keunwan Park who successfully designed a chemically novel series, to the experimental team at @thesgc.bsky.social and thanks to @conscience-network.bsky.social for greasing the wheels! bit.ly/4mYNe3r

The CACHE #2 preprint is now online: bit.ly/3DyCmHN Active learning and fragment growing delivered confirmed hits. A citizen scientist using the Fold-it gaming interface designed the top compound! Kudos to Sasha and Madhushika @thesgc.bsky.social at the bench. @conscience-network.bsky.social

1455 compounds predicted by 23 CACHE#5 participants to bind to MCHR1, a GPCR, were shipped from Enamine in Kyiv and just received in Bryan Roth's lab at UNC for experimental screening. Details: bit.ly/484U7Zi - Computational methods: bit.ly/3P0kQyd @conscience-network.bsky.social #CACHE #compchem

CACHE #3 data is out! As in other challenges, great diversity in computational workflows, many combining physics-based and ML methods and a recurring high performer. Shoutout to our target expert, @fraserlab.bsky.social, who's lab crystallized 44 CACHE compounds. bit.ly/3D8eABU @thesgc.bsky.social