A CCP to build capacity and capability in biomolecular simulation

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As computers have got more powerful, it has become possible to use them for Biomolecular Simulation: simulations of how biologically important molecules like DNA and proteins work together inside the living cell. As molecular machines, these molecules work by moving, changing shape, performing chemical reactions, and by interacting with each other in very complex ways. At present, it is not possible to study most of these processes experimentally; techniques like X-ray crystallography and NMR spectroscopy can usually only give us static snapshots of small parts of the system when we need movies of bigger parts of the system to really understand how it works. There are many excellent research groups in the UK that use biomolecular simulation in their research, but up until now there has not been an organisation that can help them share their new ideas, learn about the latest advances from other groups, provide training to new students who are starting to work in this area, and offer advice on how the latest developments in computer technology could be used to help us improve our understanding of biological systems. The aim of this proposal is to set up an organisation that will act as a one stop shop to cover all these aspects, and help to make sure that the UK gets the best value and best science out of the money it invests in research that uses biomolecular simulation.