BioSimGrid: towards a worldwide repository for biomolecular simulations.
Tai K., Murdock S., Wu B., Ng MH., Johnston S., Fangohr H., Cox SJ., Jeffreys P., Essex JW., Sansom MS.
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.