Dr Jason Cole has a BSc in chemistry from the University of Bristol and a PhD in small molecule crystallography from the University of Durham. His research at Durham focused on CSD studies of the effects of symmetry on packing and space group selection, but he also wrote software for controlling diffractometers and in the area of structural analysis of potential organic non-linear optical compounds. He joined the CCDC in 1994 on completion of his PhD, and has been central to the CCDC’s software development since then. In his early years at the CCDC, Jason was the lead developer on their Isostar library of intermolecular interactions; a product now well established in the CCDC’s portfolio. He also worked on a tool to use Isostar for probing interaction sites in protein structures (SuperStar). He went on to design the initial prototype of the CCDC’s knowledge base of intramolecular data, MOGUL.
For many years, Jason was the lead developer for the CCDC’s docking program, GOLD. He improved the performance of the initial system and developed many additional features, including an API to allow for support of multiple scoring functions and methods for applying a variety of constraints during docking - now central to the use of GOLD in virtual screening. Jason has also contributed to the development of ReliBase+, the CCDC’s program for storage and retrieval of proteins, focused on binding site analysis.
Jason was the initial lead developer for DASH, the CCDC’s program for structure solution from powder data, and has direct practical experience of using the system. Most recently he has been working with the CCDC development team to create new CSD-driven applications for conformer generation and virtual screening.
Jason has a broad understanding of all the tools used at the CCDC for drug design and development. He now oversees all Scientific and Technical operations at the Centre, including software development and editorial activities.
WebCSD: The online portal to the Cambridge Structural Database Thomas, I.R., Bruno, I.J., Cole, J.C., Macrae, C.F., Pidcock, E., Wood, P.A. 2010 Journal of Applied Crystallography 43 (2), pp. 362-366
Secbase: Database module to retrieve secondary structure elements with ligand binding motifs Koch, O., Cole, J., Block, P., Klebe, G. 2009 Journal of Chemical Information and Modeling 49 (10), pp. 2388-2402
Testing assumptions and hypotheses for rescoring success in protein-ligand docking O’Boyle, N.M., Liebeschuetz, J.W., Cole, J.C. 2009 Journal of Chemical Information and Modeling 49 (8), pp. 1871-1878
GDASH: A grid-enabled program for structure solution from powder diffraction data Griffin, T.A.N., Shankland, K., Van De Streek, J., Cole, J. 2009 Journal of Applied Crystallography 42 (2), pp. 356-359
MDASH: A multi-core-enabled program for structure solution from powder diffraction data Griffin, T.A.N., Shankland, K., Van De Streek, J., Cole, J. 2009 Journal of Applied Crystallography 42 (2), pp. 360-361
DASH: A program for crystal structure determination from powder diffraction data David, W.I.F., Shankland, K., Van De Streek, J., Pidcock, E., Motherwell, W.D.S., Cole, J.C. 2006 Journal of Applied Crystallography 39 (6), pp. 910-915