From owner-chemistry@ccl.net Sat Jun 16 09:44:01 2007 From: "uzma mahmood mehmoodchemist+*+gmail.com" To: CCL Subject: CCL: binding site/active site of new homolgous Message-Id: <-34502-070616010618-30790-sZ0aopmznGkSL1n5yRqRYg!^!server.ccl.net> X-Original-From: "uzma mahmood" Date: Sat, 16 Jun 2007 01:06:10 -0400 Sent to CCL by: "uzma mahmood" [mehmoodchemist|*|gmail.com] Hi, I am computatiuonal chemist and i am working under the topic of Structural studies for this purpose firstly i select the homology modling to understand the insight of molecule but after built of homologs i`m facing some problem regarding active site/binding site how can i evaluate that.......if any one know about something please tell me Because to solve this matter i do many more for example i take tempeletPDB sturtures and extract their ligand, find the centroids and apply on my new homologus in term of docking sence but no significant interaction i found so i think may be it`s centriods problem or either homologs problem this site is also overcome by using minmization technique........... can anybody help me....? Thanks From owner-chemistry@ccl.net Sat Jun 16 10:33:00 2007 From: "Uzma Mahmood mehmoodchemist++gmail.com" To: CCL Subject: CCL: Free Program or software for exploring binding site of new homolog Message-Id: <-34503-070616013357-978-gHGqa4PijV0577EZP92P/A()server.ccl.net> X-Original-From: "Uzma Mahmood" Date: Sat, 16 Jun 2007 01:33:51 -0400 Sent to CCL by: "Uzma Mahmood" [mehmoodchemist-.-gmail.com] Hello, I build up a new homolog but i could not be able to identify or characterize the binding site of this homolog, Anyone can suggest me about the free program or software that can be used to explore the binding site of homologs. Regards From owner-chemistry@ccl.net Sat Jun 16 10:54:01 2007 From: "UZMA MAHMOOD mehmoodchemist++gmail.com" To: CCL Subject: CCL: Binding site problem Message-Id: <-34504-070616014452-2507-Niv0i8tMq1681w7S+NdZMw-x-server.ccl.net> X-Original-From: "UZMA MAHMOOD" Content-Type: multipart/alternative; boundary="----=_Part_36019_28341662.1181968934302" Date: Sat, 16 Jun 2007 05:42:14 +0100 MIME-Version: 1.0 Sent to CCL by: "UZMA MAHMOOD" [mehmoodchemist---gmail.com] ------=_Part_36019_28341662.1181968934302 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline Hi, I am computatiuonal chemist and i am working under the topic of Structural studies for this purpose firstly i select the homology modling to understand the insight of molecule but after built of homologs i`m facing some problem regarding active site/binding site how can i evaluate that.......if any one know about something please tell me Because to solve this matter i do many more for example i take tempeletPDB sturtures and extract their ligand, find the centroids and apply on my new homologus in term of docking sence but no significant interaction i found so i think may be it`s centriods problem or either homologs problem this site is also overcome by using minmization technique........... can anybody help me....? Thanks ------=_Part_36019_28341662.1181968934302 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline
Hi,
  I am computatiuonal chemist and i am working under the topic of Structural studies for this purpose firstly i select the homology modling to understand the insight of molecule but after built of homologs  i`m facing some problem regarding active site/binding site how can i evaluate that.......if any one know about something please tell me
Because to solve this matter i do many more for example i take tempeletPDB sturtures and extract their ligand, find the centroids and apply on my new homologus in term of docking sence but no significant interaction i found so i think may be it`s centriods problem or either homologs problem this site is also overcome by using minmization technique...........
can anybody help me....?
Thanks
 
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