From chemistry-request@server.ccl.net Sun Apr 28 04:01:18 2002
Received: from tamar.cc.biu.ac.il (root@[132.70.9.24])
	by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3S81HA30808
	for <chemistry@ccl.net>; Sun, 28 Apr 2002 04:01:17 -0400
Received: from mail.biu.ac.il (shoxen.ch.biu.ac.il [132.70.25.183])
	by tamar.cc.biu.ac.il (AIX4.3/8.9.3/BIU_433_1.0) with ESMTP id LAA08256
	for <chemistry@ccl.net>; Sun, 28 Apr 2002 11:01:10 +0300
Message-ID: <3CCBADE6.4D973708@mail.biu.ac.il>
Date: Sun, 28 Apr 2002 10:08:07 +0200
From: Michael Shokhen <shokhen@mail.biu.ac.il>
X-Mailer: Mozilla 4.77 [en] (Windows NT 5.0; U)
X-Accept-Language: en,pdf
MIME-Version: 1.0
To: chemistry@ccl.net
Subject: 3D QSAR, test structures of receptor-ligand complexes ?
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


Hello,

I have elaborated a new algorithm for
receptor based 3D QSAR. To examine
and validate my approach I need molecular
structures (pdb format) of any series of
ligand-receptor complexes generated by
docking or MM procedure and the related
structures of individual ligands and
the target free receptor. Unfortunately,
I failed to find the needed data set in internet.
Any collaboration is highly appreciated.

I'll summarize for CCL the answers containing
the addresses of public domain data sets for
3D QSAR testing.

Thank you in advance,
Michael