Research Theme

Discovery Science

Selective inhibitor SC-558 docking with the 1CX2 structure of COX-2 in GOLD

The Discovery Science team delivers science, software, consultancy services and training for the existing and prospective discovery science user base.

The team maintains key scientific relationships within the Pharmaceutical Discovery and Biotech sectors and, in so doing, informs the production and execution of the discovery science development roadmap.

The team is also responsible for maximising the value of the Cambridge Structural Database (CSD) through delivery of cutting-edge research and the generation of novel insights in the field of knowledge-based discovery science.


CSD-Discovery Applications

Explore CSD-Discovery software and how it can advance your discovery research.

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PhD Projects

CCDC sponsored PhD students contribute to our research in discovery, including projects on fragment screening and growing, and improving ligand-protein affinity prediction and scoring functions with proteochemometric modelling and deep neural networks.

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Consultancy

Let our team help you in your discovery research. From ad-hoc surge resource, to long-term partnerships, use our years of experience to support your work with consultancy.

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Selected Publications