Subject: RE: Database for virtual screening

From: Doug Henry <D.Henry)at(mdl.com>
Date: Thu, 25 Sep 2003 12:23:57 -0700

Asinex makes their databases available for download.
DH

-----Original Message-----
From: Thomas Steinbrecher
To: chemistry)at(ccl.net
Sent: 9/25/2003 7:49 AM
Subject: CCL:Database for virtual screening

Dear CCLers,

I am looking for a database of (preferably purchasable)
chemical compounds that allows me to search for molecules
by certain criteria (mol. weigth, number of N-atoms...) and
save the resulting sets in a format suitable for
computational chemistry programs (pdb, mol2..) to perform a
search for potentially active compounds by docking.

Is there a free database I can use?

If not, what are commonly used databases for such a task
and which are recommended?

Thank you in advance for any comments,

Thomas Steinbrecher
Institut f|r physikalische Chemie
Albertstr. 23a
79108 Freiburg

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