HIV Protease Inhibitor Small Molecule Design: Round 2
Closed since over 7 years ago
IntermediateSummary
- Created
- November 22, 2017
- Expires
- Max points
- 100
The goal of this puzzle is to change the chemical structure of the ligand in the center of the protein to find better inhibitors of HIV protease. It's less about changing the protein to bind the ligand, and more about changing the ligand to fit the protein. Use the Ligand Design tool in the selection interface (or the "Ligand Design" mode in the original interface) to alter the chemical identity of the inhibitor.
See the blog post for more information on the puzzle and small molecule design, and Puzzle 1432 for the previous round. In contrast with the previous round, we're starting with a smaller starting molecule and are running without a similarity filter.
Note: If your puzzle loads with an invalid score or is missing the starting small molecule in the middle, be sure you've updated to the most recent Foldit client version.
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