CCL: Docking program for metalloenzymes



 Sent to CCL by: Mark Thompson [mark : arguslab.com]
 ArgusLab has good docking capabilities.
 It's a Windows application.
 http://www.arguslab.com
 Cheers,
 Mark
 Darryl Reid darryl.reid,gmail.com wrote:
 
 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 a 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>
 
 
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 Mark Thompson
 mark**arguslab.com
 http://www.arguslab.com
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