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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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Article information


Submitted
26 Jul 2004
Accepted
09 Sep 2004
First published
22 Sep 2004

Org. Biomol. Chem., 2004,2, 3219-3221
Article type
Communication

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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