From owner-chemistry@ccl.net Tue May  9 11:08:00 2006
From: "Darryl Reid darryl.reid,gmail.com" <owner-chemistry---server.ccl.net>
To: CCL
Subject: CCL: Docking program for metalloenzymes
Message-Id: <-31722-060509080724-6676-gaOP29srW/7rZgIXnEq9eQ---server.ccl.net>
X-Original-From: "Darryl Reid" <darryl.reid^^^gmail.com>
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Date: Tue, 9 May 2006 07:08:20 -0400
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Sent to CCL by: "Darryl Reid" [darryl.reid(a)gmail.com]
The eHiTS docking program has been successfully used to dock ligands
to metalloenzymes and it is free for academics.  You can find out more
at:

www.simbiosys.ca/ehits/

Darryl


On 5/8/06, MIRICA, LIVIU liviu]*[berkeley.edu <owner-chemistry#,#ccl.net> wrote:
> Sent to CCL by: "MIRICA, LIVIU" [liviu()berkeley.edu]
> Hi,
> I have a question regarding the application of the different docking programs to metalloenzymes. I
> am interested in analyzing the docking of small ligands to enzymes that have a metal ion in the
> active site (and the ligand may or may not bind to the metal). Given the large number of docking
> programs, what is the state-of-the-art in terms of taking into account the interactions of ligands
> and proteins with metal ions? Which program would be most successful for docking ligands to
> metalloenzymes, either for PC (preferred) or Linux platforms?
> Any advice will be appreciated.
> Thanks for your help.
> Liviu Mirica
>
>
> ------------------------------------------------------
> Liviu Mirica, PhD
> Department of Chemistry
> University of California, Berkeley, CA 94720>
>
>
>