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Lars Juhl Jensen
Predicting new molecular targets for known drugs -
http://www.nature.com/nature...
November 1
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Ed Millard
,
Khader Shameer
,
Matthew Todd
and
10 other people
liked this
The title is a bit generic, isn't this what Phil Bourne's been doing? -
Ruchira S. Datta
I think this is an extension of their (Kieser et al) previous work with SEA -
Rajarshi Guha
Nature has a story on this in their news section:
http://www.nature.com/news...
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Michael Kuhn
Is this using Lasso or similar program? Interesting appearance of DMT as a molecule of interest - I have a student doing a report on it this term
http://getcheminfo.wikispaces.com/Adam+My...
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Jean-Claude Bradley
Uses SEA
http://sea.bkslab.org/
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Rajarshi Guha
Thanks Rajarshi - looks like another cool online resource to explore -
Jean-Claude Bradley
That's cool. How likely is the top match to be a real inhibitor? -
Andrew Lang
We're trying to run our virtual library of Ugi products we can make in my lab
http://usefulchem.wikispaces.com/UClib00...
I hope that isn't too large a task -
Jean-Claude Bradley
We did some of this validated cross-target prediction also
http://www.nature.com/doifind...
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Matthew Todd
That's awesome Mat! What would be the next step to processing our Ugi product library on the TDI kernel? -
Jean-Claude Bradley