Molecules "docked" into SARS-CoV-2 protease being studied with Folding@home!
Each frame in this video is a new molecule (spheres) that has been "docked" against the protease of SARS-CoV-2, a protein (green) critical for the virus to function. The protease is shown here as the folded chain of linear amino acids as a single ribbon, and the translucent surface over it is the the space all of the atoms take up. The hope is that one of these molecules can bring us closer to a drug (inhibitor) of the protease. Studying them with Folding@home will help chemists prioritize efforts in promising directions!
These efforts are being led on Folding@home by Matt Hurley (Voelz lab) and John Chodera. Video by John Chodera.
The molecules themselves are from the Broad Repurposing Hub and can be read about below:
1) https://github.com/FoldingAtHome/covi...
2) https://www.broadinstitute.org/drug-r...
Want to help us? Download the app at https://foldingathome.org/start-folding/