Tai, K.S.; Murdock, S.; Wu, B.; Ng, M.H.; Johnston, S.; Fangohr, H.; Cox, S.J.; Jeffreys, P.; Essex, J.W.; Sansom, M.S.P.
BioSimGrid: towards a worldwide repository for biomolecular simulations
ORGANIC & BIOMOLECULAR CHEMISTRY, 2:3219-3221, 2004

BioSimGrid is a database for biomolecular simulations, or, a 'Protein Data Bank extended in time' for molecular dynamics trajectories. We describe the implementation details: architecture, data schema, deposition, and analysis modules. We encourage the simulation community to explore BioSimGrid and work towards a common trajectory exchange format.

DOI:10.1039/b411352g

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