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.
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 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 open
1:30 pm - Announcements
1:45 pm - Team formation & hacking begins
6:00 pm - 🍕
8:30 pm - Demos + socialize
Co-hosted by onepot & muni
Sponsored by Rowan