Closed since over 2 years ago
Intermediate Overall Small Molecule DesignFoldit players have discovered a small molecule fragment which binds well to KLHDC2. Take this starting fragment and expand upon it.
Our collaborators noticed that there's quite a bit more aryl-aryl bonds and phenyl rings in molecules than would be ideal. As such, the "Bad Group" objective has been updated to penalize these groups. (See comments for more details.) We've also increased the Compound Library bonus a bit.
Note: To get the most out of the small molecule design tools, we recommend changing you view settings to the Small Molecule Design Preset.
This is a project in collaboration with Boehringer Ingelheim. The structures of all compounds created as part of the collaboration puzzles as well as any experimental results from testing them will be made publicly available. All participants and game sponsors of current and future small molecule design games commit to complying with the Foldit Terms of Service including those pertaining to intellectual property.
Adding a methylene (CH2) group between the aryl rings should be sufficient to keep it from being classified as an unwanted aryl-aryl group.
The penalties for the aryl-aryl and phenyl groups were deliberately set a bit low for this round, as we don't necessarily want to remove them from consideration completely, we just wanted to encourage people to try other approaches.
