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Chemical Computing Group Releases MOE Version 2001.01 at Fall 2001 National ACS Meeting

MONTREAL, March 1, 2001

Chemical Computing Group (CCG) announced today it is shipping the newversion of its Molecular Operating Environment, MOE 2001.01 software.MOE is a comprehensive software system for Life Science that integrates all areasof computational chemistry including: Protein & Homology Modeling, High ThroughputScreening, CombinatorialLibrary Design, Modeling & Simulations, Structure-Based Design and Methods Development & CorporateDeployment.

Version 2001.01 comes on two CDs: one containing the MOE software with its broad base of scientific applications and the other containing a protein database of more than 13,000 structures.

MOE 2001.01 offers new benefits for visualization, high throughput discovery, protein modeling & 3D bioinformatics, and molecular modeling & structure-based design. These include:

  • Active Site Finder automatically detects "active" sites on a protein,
  • Probabilistic Receptor Potentials for determining contact preferences in active sites.
  • Protein Structure Database including non-redundant structure, structural family, and full protein databases.

"The new release extends MOE's capabilities into new areas such as structure-based design while at the same time enhancing its existing functionality in high throughput discovery. We feel that the inclusion of a database of over 13,000 structures offers a valuable tool to protein modelers," stated Paul Labute, President of Chemical Computing Group.

Chemical Computing Group (http://www.chemcomp.com) develops and markets MOE, the Molecular Operating Environment, a leading application for chemical researchers in the pharmaceutical and biotechnology fields. Its built-in applications cover the spectrum of drug discovery including: Protein/Homology modeling, High Throughput Screening, Combinatorial Library Design, Modeling/Simulations and Methods Development. MOEs unique architecture and platform independence allows it to be used corporate-wide by a variety of researchers - from methods developers to computational experts to medicinal chemists. Its customers include a worldwide roster of leading pharmaceutical and biotechnology companies.