NEW YORK (GenomeWeb News) — The European Molecular Biology Laboratory has signed a license for two of Tripos' software platforms for use in its chemical biology research, the company said today.
The agreement covers Tripos' ligand-receptor docking and virtual screening software, the Surflex-Dock, and its Themis software for use in drug discovery research.
EMBL will use the software in research at the Chemical Biological Core Facility, which is a collaboration between EMBL and the German Cancer Research Center in Heidelberg and the University of Heidelberg.
EMBL has already used the Surflex-Dock software on EMBL's Linux grid of 1,400 CPUs, and five million structures from EMBL's compound database were docked into a binding site of a receptor structure. This work was completed in "about two days and yielded a promising pool of candidates for experimental testing," the company said.
Joe Lewis, who is head of the Chemical Biology Core Facility, said in a statement that the Themis software already has "provided interesting new chemical ideas contributing to new drug discovery projects."
Financial terms of the agreement were not released.