CCL: CCG ANNOUNCES THE NEW VERSION OF MOE - MOLECULAR OPERATING ENVIRONMENT

 Sent to CCL by: "Shirley  Peng" [speng#chemcomp.com]
 CHEMICAL COMPUTING GROUP ANNOUNCES THE NEW VERSION OF MOE - MOLECULAR OPERATING
 ENVIRONMENT
 MONTREAL, Canada  November 30, 2010  Chemical Computing Group (CCG) is pleased
 to announce the release of MOE 2010.10. MOE is a fully integrated multi-platform
 (Windows/Linux/Unix/Mac) drug discovery software package. MOE 2010.10 includes
 the following new and enhanced capabilities:
  Streamlined Interactive Modeling Interface
  Integration of NAMD Engine in MOE
  Kinase Database and Explorer
  Structure-Based Medicinal Chemistry Transformations
  Enhanced Graphics
  Non-bonded Interaction Visualization
 The MOE interface has been redesigned with the objective of simplifying and
 streamlining the modeling process for computational as well as medicinal
 chemists. As Paul Labute, President and CEO of CCG, explained, We put
 considerable effort into making the modeling process more efficient. Many of the
 new enhancements were the result of close collaboration with our clients who
 expressed interest in optimizing the modeling experience. In MOE 2010.10,
 multiple complexes can be handled simultaneously more effectively, with quick
 toggling on and off of active atom sets, surfaces and rendering styles. The new
 interface also provides fast access to harmonized application panels, enabling
 researchers to streamline their modeling and simulation efforts.
 Another highlight of the 2010.10 version is the integration of the NAMD engine
 into MOEs suite of dynamics tools. Such integration offers MOE users the
 flexibility to farm out molecular dynamic simulations to NAMD and import
 trajectories back into MOE for subsequent analysis, observed Paul Labute. NAMD
 is a high-performance parallelized MD engine that is extensively used and has
 been validated over the years. Being able to include NAMD easily into the
 workflow will greatly benefit the MOE user community, simplifying the setup of
 complex MD runs and reducing the effort involved in preparing parameter files.
 MOE 2010.10 also features a new kinase structural database and explorer/browser.
 The new Kinase Search interface allows MOE users to extract potentially complex
 data sets quickly and efficiently by searching and visualizing ligand topologies
 and ligand:receptor structural domain information. Paul Labute added,
 Researchers will be able to include proprietary structures to expand and update
 the knowledge base to enhance their understanding of complicated issues such as
 selectivity.
 About Chemical Computing Group
 Chemical Computing Group (CCG) is a leading supplier of software solutions for
 Life Sciences. CCG has been in business since 1994, always providing
 state-of-the-art applications in Drug Discovery for Pharmaceutical, Biotech and
 Academic research. CCGs products and services are used by biologists, medicinal
 chemists and computational chemists throughout the world. Chemical Computing
 Group has a proven track record in scientific innovation, consistently producing
 releases and upgrades for all their products. CCG has a very strong reputation
 for collaborative scientific support, with offices in both North America and
 Europe. CCG headquarter is in Montreal, Canada. For more information visit:
 www.chemcomp.com
 For additional information please contact:
 Raul Alvarez
 Senior Marketing Manager
 (514) 393-1055 | ralvarez/./chemcomp.com