dagon_ajikun Lv 1
Has anyone considered using foldit technology to simulate SAR interactions? I'm specifically thinking of using it to find pharmacophores for antivirals or antibiotics.
Foldit with a pharmacophore?
Started by dagon_ajikun
inkycatz Lv 1
Jeff101 has some great suggestions below. :)
jeff101 Lv 1
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.
jeff101 Lv 1
Perhaps old Feedbacks like the one below will help:
http://fold.it/portal/node/995094
jeff101 Lv 1
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.
jeff101 Lv 1