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
Publication date
November 2004
DOI Publisher
Royal Society of Chemistry (RSC) Journal
Organic & Biomolecular ChemistryAbstract
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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