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

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