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

doi:10.1039/b411352g

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

School of Computing

University of Southampton

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	3219-3221
Number of pages	3
Journal	Organic & Biomolecular Chemistry
Volume	2
Issue number	22
DOIs	https://doi.org/10.1039/b411352g
Publication status	Published - 22 Sept 2004

Access to Document

10.1039/b411352g

http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15534698&query_hl=13&itool=pubmed_docsum

Cite this

@article{46850d30a94248a6b1b3f90264897e5f,

title = "BioSimGrid: towards a worldwide repository for biomolecular simulations",

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.",

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

year = "2004",

month = sep,

day = "22",

doi = "10.1039/b411352g",

language = "English",

volume = "2",

pages = "3219--3221",

journal = "Organic & Biomolecular Chemistry",

issn = "1477-0520",

publisher = "Royal Society of Chemistry",

number = "22",

}

TY - JOUR

T1 - BioSimGrid: towards a worldwide repository for biomolecular simulations

AU - Tai, Kaihsu

AU - Murdock, Stuart

AU - Wu, Bing

AU - Ng, Muan Hong

AU - Johnston, Steven

AU - Fangohr, Hans

AU - Cox, Simon J.

AU - Jeffreys, Paul

AU - Essex, Jonathan W.

AU - Sansom, Mark S. P.

PY - 2004/9/22

Y1 - 2004/9/22

N2 - 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.

AB - 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.

U2 - 10.1039/b411352g

DO - 10.1039/b411352g

M3 - Article

SN - 1477-0520

VL - 2

SP - 3219

EP - 3221

JO - Organic & Biomolecular Chemistry

JF - Organic & Biomolecular Chemistry

IS - 22

ER -

BioSimGrid: towards a worldwide repository for biomolecular simulations

Abstract

Access to Document

Fingerprint

Cite this