Validating docking codes.
- From: "Mark Thompson" <mark-.at.-arguslab.com>
- Subject: Validating docking codes.
- Date: Tue, 27 Apr 2004 21:18:10 -0700
I have a new docking code and scoring function that I'm currently
validating. I'm mainly using the data in Wang's J. Med. Chem paper (2003,
46, 2287-2303) and the Gold test set. I've culled most of the docking
literature for other "standard" tests.
One area where I'm weak is having good ligand libraries for testing database
enrichments. I could construct these libraries myself, but then direct
comparisons with other docking/scoring methods cited in the literature might
be ambiguous.
I would appreciate hearing from anyone who knows of any such data sources
that are available to the public.
Cheers,
Mark
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Mark Thompson
Planaria Software
PO Box 55207
Seattle, WA 98155
voice: 206.240.4769
FAX: 206.440.3305
mark-.at.-arguslab.com
http://www.arguslab.com
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