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BioSimGrid: towards a worldwide repository for biomolecular simulations

Abstract:
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.

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Files:
  • (pdf, 467.0kb)
Journal:
Organic & Biomolecular Chemistry
Publication date:
2004
Local pid:
ora:749

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