BioSimGrid: towards a worldwide repository for biomolecular simulations |
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| Authors: | Tai Kaihsu Murdock Stuart Wu Bing Ng Muan Hong Johnston Steven Fangohr Hans Cox Simon J Jeffreys Paul Essex Jonathan W Sansom Mark S P |
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| Institution: | Department of Biochemistry, University of Oxford, Rex Richards Building, South Parks Road, Oxford OX1 3QU, UK. team@BioSimGrid.org |
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| 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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