BioSimGrid: towards a worldwide repository for biomolecular simulations
- 22 September 2004
- journal article
- Published by Royal Society of Chemistry (RSC) in Organic & Biomolecular Chemistry
- Vol. 2 (22) , 3219-3221
- https://doi.org/10.1039/b411352g
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.Keywords
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