BioSimGrid: towards a worldwide repository for biomolecular simulations

Kaihsu Tai, Stuart Murdock, Bing Wu, Muan Hong Ng, Steven Johnston, Hans Fangohr, Simon J. Cox, Paul Jeffreys, Jonathan W. Essex, Mark S. P. Sansom

Research output: Contribution to journalArticlepeer-review


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.
Original languageEnglish
Pages (from-to)3219-3221
Number of pages3
JournalOrganic & Biomolecular Chemistry
Issue number22
Publication statusPublished - 22 Sept 2004


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