From chemistry-request@ccl.net Wed Jun 15 18:09:38 2005
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Date: Wed, 15 Jun 2005 13:30:19 -0700 (PDT)
From: Andrew Orry <andy %x% molsoft.com>
To: CCL <chemistry %x% ccl.net>
Subject: Re: CCL:size of ligand binding pocket
In-Reply-To: <42B0320F.4090003 %x% jerini.de>
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> I am looking for software which is able to quantify the
> size/depth of ligand binding pockets of proteins?
>
> Thanks in advance,
> Uwe

Dear Uwe

The ICM suite of software has a number of different functions to analyze 
ligand binding pockets. Please see www.molsoft.com or the following 
papers:

An J, Totrov M, Abagyan R. Pocketome via Comprehensive Identification and 
Classification of Ligand Binding Envelopes. Mol Cell Proteomics. 2005 
Jun;4(6):752-761. Epub 2005 Mar 9.

An J, Totrov M, Abagyan R. Comprehensive identification of "druggable"  
protein ligand binding sites. Genome Inform Ser Workshop Genome Inform.
2004;15(2):31-41.

Thanks

Andy

On Wed, 15 Jun 2005, Uwe Richter wrote:

> Dear CCLers,
> 
> I am looking for software which is able to quantify the
> size/depth of ligand binding pockets of proteins?
> 
> Thanks in advance,
> Uwe
>