[Decoys] announcing DUD: A directory of useful decoys

[John J. Irwin]

Dear Decoys at docking.org list members

I'm happy to announce that our paper, "A benchmarking set for molecular 
docking" by Huang, Shoichet and Irwin has just appeared in J Med Chem 
ASAP, http://dx.doi.org/10.1021/jm0608356. At the same time we are 
announcing the availability of the DUD database for download from our 
website, http://dud.docking.org.

This builds on previous work from this lab, Graves AP, Brenk R, Shoichet 
BK. Decoys for Docking. /J Med Chem/* 48* (11), 3714 - 372 (2005). 
http://dx.doi.org/10.1021/jm0491187

We are trying to drum up interest in some kind of decoy-aware docking 
competition.  See
http://wiki.compbio.ucsf.edu/wiki/index.php/Docking_Competition for a 
very sketchy, rather incomplete effort to describe what I am thinking of.

Ok, welcome to decoys at docking.org. Since this is the first message, it 
is somewhat unclear what this group is about. I had intended it to be a 
discussion forum for the topics raised both the Huang,  Shoichet, Irwin 
J Med Chem 2006 paper as well as the issues from Graves, Brenk and 
Shoichet J Med Chem 2005 cited above.

Cheers

John