The Computational Centre for Integrated Structural Biology (CCISB) provides computational support across the full range of disciplines.
CCP-BioSim is the Collaborative Computational Project for Biomolecular Simulation which was established to strengthen, promote and develop biomolecular simulation at the life sciences interface. CCP-BioSim is an inclusive wide-ranging project, bringing together chemists, physicists and chemical engineers as well as researchers from all branches of ‘molecule-oriented’ biochemistry and biology. CCP-BioSim develops and provides training and tools to lower the barrier to non-experts becoming proficient and productive users of biomolecular simulation techniques. We also work to develop and apply advanced methods. Engagement with experimentalists is crucial to ensure that the methodologies delivered are relevant to biological problems.
The Collaborative Computational Project for NMR (CCPN) is a public non-profit project, which addresses the computational needs of the scientific community involved in NMR spectroscopy of biological molecules, especially those who work in the field of protein NMR. The general aims are to link new and existing NMR software via a common data standard and provide a forum within the community for the discussion of NMR software and the scientific methods it supports.
The Computational Centre for Integrated Structural Biology (CCISB) aims to provide computational support to the European community of structural biologists across the full range of disciplines, allowing a single point of access for software and support, and encouraging standardisation between the different disciplines.
CCISB is distributed across several sites, with a hub located at the Research Complex at Harwell and hosted by the Scientific Computing Department of the STFC. Nodes of CCISB are located at the adjacent Diamond synchrotron, Cambridge, York, STFC Daresbury Laboratory and Bristol, and provide specific expertise to the Centre. Initial contributing groups to the Centre include CCP4, CCPN, CCP-BioSim, PiMS and Diamond. As the Centre develops, additional software groups from across Europe will be included, either as formal nodes or as recognised collaborators, reflecting the distributed nature of software development.
CCISB provides software packages and services for structural biology, usually via its constituent groups. It also provides help and advice on all software, either directly or by locating the relevant developer or expert. As a computational centre, CCISB would not normally host users (all software is accessible via the web). However, Instruct users are encouraged to include CCISB on proposals if it is anticipated that the project will require new (to the user) software, unusual data processing, or modelling to link experimental data.
CCISB also represents Instruct in the BioMedBridges project. BioMedBridges is a joint effort of ten biomedical sciences research infrastructures on the ESFRI roadmap. Together, the project partners will develop the shared e-infrastructure—the technical bridges—to allow interoperability between data and services in the biological, medical, translational and clinical domains. Further information on this project is available on the Instruct network.