2091: VHL ligand design: Round 10
|Name:||2091: VHL ligand design: Round 10|
|Expired:||01/12/2022 - 23:00|
|Description:||Design a small molecule which can bind VHL! This is the tenth (and final!) in a series of puzzles using the small molecule design tools to design small molecule binders to the von Hippel-Lindau E3 ubiquitin ligase. We don't want you to modify the protein, but instead we'd like you to build new small molecules which fit into the VHL pocket. See the new "Inside the Pocket" and "Fun with Fragments!" tutorials to learn how to use the small molecule design tools.
Note: To get the most out of the small molecule design tools, we recommend changing you view settings to the Small Molecule Design Preset
As with all the puzzles in this series, we're hoping you can continue to redesign the ligand to decrease the polarity and to change the center five member ring. The puzzle setup is basically the same as Round 9. For Round 10, we still want you to replace the center five-member ring to some other ring system, but have adjusted the penalty for breaking-but-not-reforming the center ring. We've also adjusted the rotatable bond bonus and made the TPSA bonus more stringent.
This is a project in collaboration with Boehringer Ingelheim. Boehringer Ingelheim has committed to help evaluate and test the molecules which Foldit players have designed. All compounds created as part of the collaboration puzzles will be made publicly available. Experimental results from testing the molecules will also be released publicly. 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.
|Categories:||Overall, Small Molecule Design|
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