BioSimGrid: towards a worldwide repository for biomolecular simulations
- 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.
- Organic & Biomolecular Chemistry
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