From owner-chemistry: at :ccl.net Wed May 10 10:13:00 2006 From: "Mark Thompson mark^-^arguslab.com" To: CCL Subject: CCL: Docking program for metalloenzymes Message-Id: <-31730-060509212243-32388-6EjN11qAwBmu2aob/t292A]|[server.ccl.net> X-Original-From: Mark Thompson Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 09 May 2006 17:07:18 -0700 MIME-Version: 1.0 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 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> > > > > > -- ------------------------ Mark Thompson mark**arguslab.com http://www.arguslab.com ------------------------