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BioSimGrid: towards a worldwide repository for biomolecular simulations

BioSimGrid: towards a worldwide repository for biomolecular simulations
BioSimGrid: towards a worldwide repository for biomolecular simulations
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.
1477-0520
3219-3221
Tai, Kaihsu
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Murdock, Stuart
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Wu, Bing
68da5cb1-6a5f-46f9-8173-12d702625220
Ng, Muan Hong
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Johnston, Steven
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Fangohr, Hans
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Cox, Simon J.
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Jeffreys, Paul
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Essex, Jonathan W.
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Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e
Tai, Kaihsu
363c10d0-8583-4bea-bc0f-5be75142e5de
Murdock, Stuart
352e1d8a-2d79-4bc0-a47c-025715bec117
Wu, Bing
68da5cb1-6a5f-46f9-8173-12d702625220
Ng, Muan Hong
6cdc5c67-aaa2-4153-b64c-3491ad848fce
Johnston, Steven
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Fangohr, Hans
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Cox, Simon J.
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Jeffreys, Paul
a2376cab-ac2a-4905-8bc3-91993d8cd728
Essex, Jonathan W.
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e

Tai, Kaihsu, Murdock, Stuart, Wu, Bing, Ng, Muan Hong, Johnston, Steven, Fangohr, Hans, Cox, Simon J., Jeffreys, Paul, Essex, Jonathan W. and Sansom, Mark S.P. (2004) BioSimGrid: towards a worldwide repository for biomolecular simulations. Organic & Biomolecular Chemistry, 2 (22), 3219-3221. (doi:10.1039/b411352g).

Record type: Article

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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Published date: 2004
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Identifiers

Local EPrints ID: 22974
URI: http://eprints.soton.ac.uk/id/eprint/22974
DOI: doi:10.1039/b411352g
ISSN: 1477-0520
PURE UUID: f6c8113e-5f65-4ff5-8045-122c2ce8e5ad
ORCID for Steven Johnston: ORCID iD orcid.org/0000-0003-3864-7072
ORCID for Hans Fangohr: ORCID iD orcid.org/0000-0001-5494-7193
ORCID for Jonathan W. Essex: ORCID iD orcid.org/0000-0003-2639-2746

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Date deposited: 23 Mar 2006
Last modified: 16 Mar 2024 03:09

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Contributors

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

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