From owner-chemistry /at\ccl.net Fri Mar 6 14:56:00 2009 From: "Joannis Apostolakis apostola*o*bio.ifi.lmu.de" To: CCL Subject: CCL: Chil2 plattform for molecular modelling Message-Id: <-38782-090306094939-26271-JDVd0JHCfojLP2/l1hGGVA[*]server.ccl.net> X-Original-From: "Joannis Apostolakis" Date: Fri, 6 Mar 2009 09:49:35 -0500 Sent to CCL by: "Joannis Apostolakis" [apostola_-_bio.ifi.lmu.de] Dear Colleagues, this is to announce that the Chil2 platform containing a number of high quality tools for molecular modelling, design and cheminformatics is available at the site www.chli2.de. For academics it is free of charge and can be used on an unlimited number of cpus. It comes with a license that expires every three months, and which can then be renewed by downloading it again from the site. Companies are welcome to test for the same period of time under the same conditions, however will need to buy the license for use beyond the first three months. Chil2 contains GlamDock, a highly efficient and accurate protein ligand docker (Tietze and Apostolakis 2007, JCIM) GMA possibly the fastest flexible structural alignment approach (Marialke et al. 2007, JCIM) HomDock a structure/ligand based docking alignment tool for fast docking of ligands that are similar to a given target. (Marialke et al. 2008) FUZZEE, a weighted reduced graph similarity approach that allows in the order of 1000 molecule comparisons per second and a simple library viewer that allows scrolling through screening results and viewing of the relevant structures. Chil2 is written in JAVA and is therefore largely system independent. We believe the platform is an interesting addition to the existing repertoire of methods and are looking forward to your feedback. With best regards Jannis Apostolakis