Ebolathon: Compute to Cure

Design antiviral candidates for Bundibugyo ebolavirus, with top candidates synthesized and tested in the lab. Instead of stopping at computational designs, your submissions will be synthesized through onepot 's platform and evaluated in an entry inhibition assay. All data will be made public, and submissions will be judged by a panel of experts. Participants will have access to muni ’s platform, including a variety of tools from Rowan and Boltz . Who this is for Computational chemists, structural biologists, ML researchers, and anyone interested in turning in silico work into compounds that can be experimentally tested. What you'll do Design and rank compounds from the onepot CORE compound library targeting BDBV GP-mediated entry Apply structural biology, ML, docking, MD, or other computational approaches Submit a ranked list of compounds with rationales for synthesis and testing Present your work to judges at the end of the day by walking through your approach and showing your work Why this matters Bundibugyo ebolavirus has caused a recent outbreak in eastern Democratic Republic of…