From owner-chemistry%!at!%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