From owner-chemistry@ccl.net Fri Feb  3 11:52:01 2006
From: "Paul Hawkins phawkins[]eyesopen.com" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL: Ligand Docking with GOLD
Message-Id: <-30773-060203110310-24547-JTPapeizhujmyRnoDBfJvA/./server.ccl.net>
X-Original-From: Paul Hawkins <phawkins~~eyesopen.com>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Date: Fri, 03 Feb 2006 09:00:32 -0700
MIME-Version: 1.0


Sent to CCL by: Paul Hawkins [phawkins:+:eyesopen.com]
Try these for a starting point:

Warren et al J. Med. Chem., 2005 ASAP.
Cummings et al J. Med. Chem., 2005, 48, 962.
Bissantz et al J. Med. Chem., 200, 43, 4759.
Chen et al. JCIM 2006, 46, 401.
Kontoyanni et al. J. Comput. Chem., 2005, 26, 11.
Evers et al. J. Med. Chem., 2005, 48, 962 and 1088.
Kellenberger et al. Proteins, 2004, 57, 225.
Cotesta et al. Proteins, 2005, 60, 629.
Klon et al. JCICS, 2004, 44, 2216.
Thomas et al., J. Med. Chem., 2006, 49, 92.
Vigers and Rizzi, J. Med. Chem., 2004, 47, 80.


Docking comparisons have been very popular lately.........


But see Cole et al. Proteins, 2005, 60, 325 for some caveats on these 
sorts of comparisons.


Paul.

Paul Hawkins
Senior Applications Scientist
OpenEye Scientific Software

Thomas Steinbrecher steinbrt^-^uni-freiburg.de wrote:

>Sent to CCL by: "Thomas  Steinbrecher" [steinbrt[a]uni-freiburg.de]
>Dear CCLers,
>
>can somebody point me to a review article that compares the performance of the GOLD ligand docking program to other commonly available docking tools like FlexX, AutoDock etc. ?
>
>Kind Regards,
>
>Thomas Steinbrecher>
>
>  
>