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 entryApply structural biology, ML, docking, MD, or other computational approachesSubmit a ranked list of compounds with rationales for synthesis and testingPresent 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 Congo that has spread into Uganda. Unlike the Zaire species, there are no approved vaccines or treatments specific to Bundibugyo. This hackathon is an opportunity to generate early experimental data on potential small molecule inhibitors where few currently exist. Agenda 1:00 pm - Doors open1:30 pm - Announcements1:45 pm - Team formation & hacking begins6:00 pm - 🍕8:30 pm - Demos + socialize Co-hosted by onepot & muni Sponsored by Rowan & Boltz