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Chemical Computing Group Inc. Releases New Version of the Molecular Operating Environment

MONTREAL, Canada, December 08, 2009

Chemical Computing Group Inc. (CCG) announces the general release of the 2009.10 version of the Molecular Operating Environment (MOE). The 2009 release contains new technology for:

  • Real-time ray-traced graphics including full screen anti-aliasing focal blur effects.
  • Scaffold replacement and linking for ligand- or structure-based design projects.
  • SOAP server to integrate MOE into pipeline workflows.
  • LowModeMD conformational search of protein loops and complex systems.
  • Synthetic Score descriptor to estimate synthetic feasibility of virtual compounds.
  • Protein/Antibody Modeling technology for enhanced backbone and sidechain sampling.

Paul Labute, President and CEO of CCG said that "We are very excited about the new technology in MOE 2009.10. A key focus for us has been in improving the 3D graphics. We have taken advantage of the computing power in modern graphics cards to create ray-traced quality graphics at interactive speeds. We believe that our customers will benefit from this advancement not only in creating high quality images for presentations or publications but also for practical 3D perception and visualization."

MOE 2009.10 contains a specialized SOAP server which offers researchers the flexibility to use MOE as a web service from external programs or web pages. The server allows customers to easily integrate MOE functionality into corporate web interfaces and pipeline workflow systems such as PipelinePilot®, KNIME or KDE. Labute pointed out that "our SOAP technology is easy to customize allowing researchers to deploy MOE or custom functionality in any of the pipelining environments."

The 2009.10 release also contains a number of significant scientific advances. Labute said "our new LowModeMD application, which combines molecular dynamics and conformational analysis, allows researchers to explore the structural variations of complex molecular systems such as protein loops in drug targets and antibodies, the conformations of macrocycles such as cyclic peptides and the geometries of ligands and waters in an active site. LowModeMD is an ideal complement to MOE's enhanced protein/antibody structure prediction applications, providing MOE users with unmatched protein modeling capabilities.

About Chemical Computing Group

CCG (www.chemcomp.com) is a leading supplier of software solutions for Life Sciences. CCG's drug discovery software platform is the Molecular Operating Environment (MOE) that integrates visualization, simulations and methodology development in one package. CCG's informatics platform is PSILO which is used for macromolecular structure registration, version control and web-based searching. CCG's products and services are used by biologists, medicinal chemists and computational chemists in pharmaceutical/biotechnology companies, government organizations and universities throughout the world. CCG is headquartered in Montreal, Canada.

For additional information please contact:

Elizabeth Sourial
Director of Scientific Services
(514) 393-1055