MONTREAL–Chemical Computing Group Inc. (CCG) announces the general release of a graphical interface for Cambridge Crystallographic Data Centre’s (CCDC’s) GOLD docking software as part of CCG’s Molecular Operating Environment (MOE) software package. The integration technology will be available in the 2009.10 version of MOE.

While the two software programs must be licensed separately, the new interface will make running the GOLD docking program from within the MOE software seamless for end-users. The interface also allows end-users to conveniently modify GOLD parameters during the simulation.

Paul Labute, President and CEO of CCG said that “GOLD is an industry leading protein-ligand docking engine and CCG has worked over the past year to combine the strengths of MOE and GOLD. MOE contains leading preparation and post-processing functionality while GOLD specifically addresses the docking problem. The combination will be of great benefit to CCG and CCDC customers since MOE’s proton placement, pharmacophore screening, and structure refinement technology can be combined with GOLD directly.”

Labute went on to say that “Many of our customers use MOE as a central platform for their computational pharmaceuticals research and, in recent years, CCG has added components to combine MOE’s strengths with third-party applications. We are very pleased to include GOLD in this capacity and initial customer reaction to the MOE-GOLD link has been very positive.”

Chemical Computing Group Inc. (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.

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