European Molecular Biology Laboratory (EMBL) Signs Agreement to License Themis and Surflex-Dock Technologies from Tripos
Tests Show Success in Rapid, Accurate Discovery of New Drug Possibilities
ST. LOUIS, Mo.–Tripos™, a leading provider of drug discovery informatics products and services, today announced an agreement with the European Molecular Biology Laboratory (EMBL), Europe’s leading research institution for molecular biology, to license Tripos’ Themis™ and Surflex-Dock™ software to support their efforts in Chemical Biology. According to Dr. Joe Lewis, Head of the Chemical Biology Core Facility, a collaboration between EMBL, the DKFZ [German Cancer Research Center, Heidelberg] and the University of Heidelberg to provide the infrastructure and expertise to enable small molecule development to research groups at these institutions. “Anytime we can reduce the amount of time it takes to advance our drug discovery efforts, we are very pleased. Tripos’ Surflex-Dock, and new Themis product have enabled us to do exactly that.”
In a benchmark study at EMBL, Surflex-Dock was installed on EMBL’s Linux Grid of 1,400 CPUs. Five million structures of EMBL’s virtual database of commercially available compounds were then docked into a binding site of a project’s receptor structure. The computation was completed in about two days and yielded a promising pool of candidates for experimental testing.
“Virtual screening has become a key technique in Chemical Biology to identify small molecules as tool compounds to help address biological questions. Our testing of Surflex-Dock’s capabilities in this area convinced us that its high speed and accuracy will enable us to quickly find the most promising compounds,” said Dr. Lewis.
Dr. Lewis added, “In first experiments performed at EMBL, Tripos’ Themis already provided interesting new chemical ideas contributing to new drug discovery projects, so in parallel, the Themis technology will enable us to search vast chemical fragment space, as composed and implemented into the Themis database by our medicinal chemists.”
“The decision by the European Molecular Biology Laboratory to select our new Themis technology together with Surflex-Dock is very significant,” said Jim Hopkins, Tripos’ Chief Executive Officer. He added, “The vigorous EMBL study demonstrated that the powerful combination of these two Tripos offerings can effectively enhance the success of discovery efforts.”
About Tripos
Tripos, a Certara™ Company, is a global leader in innovative scientific solutions enabling life science researchers to improve the efficiency of molecular discovery. Established in 1979, Tripos was the first company to bring scientific computational drug discovery capabilities to the pharmaceutical, chemical and food design industries, and today helps a broad range of companies and research facilities accelerate the identification and optimization of new compounds that have the potential to become marketed drugs, foods, flavorings and fragrances. Headquartered in St. Louis, Missouri, Tripos serves more than 1,000 customers spanning over 46 countries.
About Certara
Certara is dedicated to improving human health through a broad spectrum of products and services, from molecular discovery to clinical research. Formed in 2008, Certara unites Tripos and Pharsight Corporation. Tripos is a global leader in innovative scientific solutions enabling life science researchers to improve the efficiency of molecular discovery. Pharsight is the leading provider of software and scientific services to improve productivity and decision-making in clinical drug development. Certara expects to provide its clients with important new products, key enabling technologies and scientific expertise to expedite the flow of information throughout drug discovery and development. Certara is focused on reducing the barriers between the phases of research that will speed discoveries in chemistry and enable pharmaceutical and biotechnology companies to achieve significant and enduring improvements in the development and use of therapeutic products.
About EMBL
The European Molecular Biology Laboratory is a basic research institute funded by public research monies from 20 member states (Austria, Belgium, Croatia, Denmark, Finland, France, Germany, Greece, Iceland, Ireland, Israel, Italy, Luxembourg, the Netherlands, Norway, Portugal, Spain, Sweden, Switzerland and the United Kingdom) and associate member state Australia. Research at EMBL is conducted by approximately 80 independent groups covering the spectrum of molecular biology. The Laboratory has five units: the main Laboratory in Heidelberg, and Outstations in Hinxton (the European Bioinformatics Institute), Grenoble, Hamburg, and Monterotondo near Rome. The cornerstones of EMBL’s mission are: to perform basic research in molecular biology; to train scientists, students and visitors at all levels; to offer vital services to scientists in the member states; to develop new instruments and methods in the life sciences and to actively engage in technology transfer activities. EMBL’s International PhD Programme has a student body of about 170. The Laboratory also sponsors an active Science and Society programme. Visitors from the press and public are welcome.

