From owner-chemistry@ccl.net Mon Sep 27 21:27:00 2010 From: "Andrew Orry andy- -molsoft.com" To: CCL Subject: CCL: Denovo ligand design: tools Message-Id: <-42845-100927190609-25605-NCClskVcKmBrfACOX/VCYA{:}server.ccl.net> X-Original-From: Andrew Orry Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Mon, 27 Sep 2010 16:06:00 -0700 MIME-Version: 1.0 Sent to CCL by: Andrew Orry [andy_-_molsoft.com] Sangeetha, Please consider MolSoft's ICM-Chemist-Pro ( http://www.molsoft.com/icm-chemist-pro.html ) software for this. This package includes a 3D ligand editor which allows you to interactively de novo design a ligand, dock fragments, and build linkers. The package comes with scoring and ligand strain calculation to evaluate the ligand. There is a user guide here http://www.molsoft.com/gui/icm-chemist-pro-tutorials.html with links to the manual and video demos. Thanks, Andrew -- Andrew Orry Ph.D. Senior Research Scientist MolSoft LLC 3366 North Torrey Pines Court Suite 300 La Jolla CA 92037 Tel: 858-625-2000 x108 Fax: 828-625-2888 www.molsoft.com On 9/24/2010 3:49 AM, SANGEETHA SUBRAMANIAM srdshigella]^[gmail.com wrote: > Sent to CCL by: "SANGEETHA SUBRAMANIAM" [srdshigella,,gmail.com] > Dear Members, > > Can you please suggest the software available for denovo-ligand designing (both academic and commercial). Your information would be greatly appreciated. > > Thanks > Sangeetha.>