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Joined: 10/21/2014
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Has anyone considered using foldit technology to simulate SAR interactions? I'm specifically thinking of using it to find pharmacophores for antivirals or antibiotics.

Joined: 04/24/2014
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Hm..

Jeff101 has some great suggestions below. :)

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Have you tried any puzzles?

Not sure what you're looking for, but I would encourage you to try some Foldit puzzles. Puzzle 1000 (http://fold.it/portal/node/1998572) has us engineer a small peptide to fit into a binding pocket on Ebola. There are also usually some Beginner Puzzles like http://fold.it/portal/node/998424 where you dock things into binding sites.

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Check old Feedbacks:

Perhaps old Feedbacks like the one below will help:
http://fold.it/portal/node/995094

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See the Dec 2, 2014 Developer Chat

In the Dec 2, 2014 Developer Chat (http://fold.it/portal/node/1998822), curium and kothiwsk discussed new features they hope to incorporate into Foldit this spring to allow small molecule (non-protein) drug design. They cited the following YouTube videos posted by Steven Combs:

http://youtu.be/CEaGj1knm9o 1:46 long "Foldit drug design: grids wiggle"
http://youtu.be/pDm27XiWHT8 0:30 long "Foldit drug design: add fragment then shake"

They also cited http://meilerlab.org/ for BCL and http://www.csardock.org/ for a CASP-like contest about docking small molecules.

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See new post about small molecules in Foldit:
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Another blog post:
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