From owner-chemistry-!at!-ccl.net Mon May 8 08:10:00 2006 From: "Rene Thomsen rt#molegro.com" To: CCL Subject: CCL: Molegro releases Molegro Virtual Docker 2006 v1.1 Message-Id: <-31702-060508080701-27259-2NbaQmdzjXHCm+8GjNpz2w]=[server.ccl.net> X-Original-From: "Rene Thomsen" Date: Mon, 8 May 2006 08:06:56 -0400 Sent to CCL by: "Rene Thomsen" [rt.:.molegro.com] Aarhus, Denmark, May 8th, 2006 - Molegro is pleased to announce a new release of Molegro Virtual Docker 2006, an integrated platform for predicting protein-ligand interactions. Molegro Virtual Docker handles all aspects of the docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity. Molegro Virtual Docker runs on Windows, Linux, and Mac OS X. A journal paper comparing Molegro Virtual Docker with other state-of-the-art docking programs is available from Journal of Medicinal Chemistry: http://dx.doi.org/10.1021/jm051197e New features in version 1.1: * Support for scripting (e.g. batch job execution). * The Pose Organizer has been redesigned to handle large docking runs more easily. * Python wrapper for controlling MVD using Python scripts. For more information, or to download a trial version, please visit our company website at: http://www.molegro.com or contact: Rene Thomsen, CEO Molegro Hoegh-Guldbergs Gade 10, Bldg. 1090 DK-8000 Aarhus Denmark E-mail: rt:molegro.com Phone: (+45) 8942-3165 About Molegro Molegro is a Danish company founded in 2005. Our company concentrates on developing high-performance drug discovery solutions leading to a faster drug-development process. Our goal is to provide scientifically superior products focusing on both state-of-the-art algorithms and an intuitive graphical user interface experience.