Protein Data Bank in Europe to incorporate OpenEye cheminformatics software

PDBe logo

Protein Data Bank in Europe to incorporate OpenEye cheminformatics software

12 May 2014 - 14:01

Hinxton, UK and Santa Fe, NM, 12 May 2014 – EMBL-EBI’s Protein Data Bank in Europe (PDBe) and OpenEye Scientific Software have partnered to integrate innovative cheminformatics solutions into PDBe’s publicly available resource for studying 3-D cellular and macromolecular structures.

PDBe offers sophisticated tools and services for the study of chemical, biological and 3D structural information on biomacromolecules and their complexes. This public resource has become increasingly accessible to a diverse range of users, including non-specialist biomedical scientists. By partnering with OpenEye, PDBe will benefit from software that can greatly improve the usability of the service.

OpenEye-powered webpage components will enhance the retrieval and display of structure visualisations, identical and similar molecules, calculated chemical properties and descriptors and basic interpretations of binding-site interactions.

"Our partnership with OpenEye demonstrates our commitment to providing high-quality services that benefit our users worldwide,” says Gerard Kleywegt, Head of PDBe at EMBL-EBI. “We are delighted to draw upon OpenEye’s considerable expertise in developing robust, innovative cheminformatics solutions. PDBe is currently re-engineering its website for release later this year, and OpenEye components will add considerable value for scientists exploring 3D structure information."

Anthony Nicholls, CEO and Founder of OpenEye, remarks, "The Protein Data Bank in Europe is a triumph of the structural biology community and we are very proud to be part of its continuing success."

About the Protein Data Bank in Europe

EMBL-EBI’s Protein Data Bank in Europe (PDBe) is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. A founding partner of the Worldwide Protein Data Bank (wwPDB), PDBe is committed to maintaining high standards of quality, integrity and consistency of the global archives of macromolecular structures – the Protein Data Bank, and the Electron Microscopy Data Bank.

About OpenEye Scientific Software

OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, NM, with offices in Boston, Cologne, Strasbourg, and Tokyo. It was founded in 1997 to develop large-scale molecular modelling applications and toolkits. Primarily aimed towards drug discovery and design, areas of application include: cheminformatics, structure generation, shape comparison, docking, fragment replacement, electrostatics, crystallography and visualisation. The software is designed for scientific rigor, as well as speed, scalability and platform independence. OpenEye makes most of its technology available as toolkits - programming libraries suitable for custom development. OpenEye software typically is distributable across multiple processors and runs on Linux, Windows and Mac OS X.


OpenEye Scientific Software

Joseph Corkery, M.D.
Vice President, Business Development
Tel. +1-505-473-7385 x76

European Bioinformatics Institute

Gary Battle, Protein Data Bank in Europe
European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, UK
Tel. +44 1223 49-4654

Subscribe to the e-mail newsletter
Get a monthly round-up of the hottest news and features from EMBL, straight to your inbox.
Or stay updated with the RSS feed (EMBL-EBI only).