Lab Report #26: Small Molecule Design

Tackle a different kind of research challenge with new tools for designing small molecules in Foldit!

NEWS
- New tools for small molecule design

PUZZLE UPDATES
- Design PROTAC small molecules

DESIGN OF THE MONTH
- A symmetric D2 tetramer, designed by Skippysk8s, Enzyme, and an anonymous teammate in Puzzle 2050. A fully-satisfied H-bond network helps to prevent off-target assembly. Take a look for yourself in the November Design of the Month sandbox puzzle.

(Mon, 11/01/2021 - 13:03  |  2 comments)
alcor29's picture
User offline. Last seen 1 hour 12 min ago. Offline
Joined: 11/16/2012
"undesirable groups"

Thanks bkoep. This was very helpful to the understanding of what we need to do. There is one category however which I still don't understand and perhaps you can elucidate a bit: What constitutes and "undesirable group?"

alcor29's picture
User offline. Last seen 1 hour 12 min ago. Offline
Joined: 11/16/2012
withdraw the question

Amides etc.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, Boehringer Ingelheim, RosettaCommons