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Wednesday, November 10, 2004

Biomolecular simulations resource

Kaihsu Tai et al, BioSimGrid: towards a worldwide repository for biomolecular simulations , Organic and Biomolecular Chemistry 2, 3219 (2004) (Access restricted to subscribers.) 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."