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GEN News Highlights : Feb 17, 2009

EMBL Licenses Tripos' Software to Advance Drug Discovery

Themis and Surflex-Dock will be used to identify small molecules.

The European Molecular Biology Laboratory (EMBL) signed an agreement to license Tripos' Themis and Surflex-Dock software to advance its drug discovery efforts within chemical biology.

The software will be used to enable small molecule development among research groups in the Chemical Biology Core Facility, a three-way collaboration between the EMBL, the German Cancer Research Center, and the University of Heidelberg.

The EMBL says that in studies to assess Surflex-Dock, the software yielded promising compound candidates for testing in about two days.

It docked five million structures of the research institute's virtual database of commercially available compounds into a binding site of a project's receptor structure.

Additionally, in the first experiments with Themis, the software provided new chemical ideas that would contribute to drug discovery projects, adds Joe Lewis, Ph.D, head of the facility.ADNFCR-2184-ID-19031149-ADNFCR