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Issue 22, 2004
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BioSimGrid: towards a worldwide repository for biomolecular simulations

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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.

Graphical abstract: BioSimGrid: towards a worldwide repository for biomolecular simulations

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Publication details

The article was received on 26 Jul 2004, accepted on 09 Sep 2004 and first published on 22 Sep 2004


Article type: Communication
DOI: 10.1039/B411352G
Citation: Org. Biomol. Chem., 2004,2, 3219-3221
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    BioSimGrid: towards a worldwide repository for biomolecular simulations

    K. Tai, S. Murdock, B. Wu, M. H. Ng, S. Johnston, H. Fangohr, S. J. Cox, P. Jeffreys, J. W. Essex and M. S. P. Sansom, Org. Biomol. Chem., 2004, 2, 3219
    DOI: 10.1039/B411352G

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