Data intensive analysis of biomolecular simulations

T. P. Straatsma

doi:10.1063/1.2836009

Data intensive analysis of biomolecular simulations

T. P. Straatsma

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

5 Scopus citations

Abstract

Biomolecular simulations are resulting in increasingly large molecular time trajectories. This contribution describes a data intensive analytics capability that is designed to effectively use massively parallel computing resources to carry out and visualize large scale molecular dynamics trajectory analyses.

Original language	English
Title of host publication	Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
Pages	1379-1382
Number of pages	4
Edition	2
DOIs	https://doi.org/10.1063/1.2836009
State	Published - 2007
Externally published	Yes
Event	International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, Greece Duration: Sep 25 2007 → Sep 30 2007

Publication series

Name	AIP Conference Proceedings
Number	2
Volume	963
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
Country/Territory	Greece
City	Corfu
Period	09/25/07 → 09/30/07

Keywords

Data intensive analysis
Molecular simulation

Access to Document

10.1063/1.2836009

Cite this

@inproceedings{7c5de6c67d5341f8b048cf1af409d2d6,

title = "Data intensive analysis of biomolecular simulations",

abstract = "Biomolecular simulations are resulting in increasingly large molecular time trajectories. This contribution describes a data intensive analytics capability that is designed to effectively use massively parallel computing resources to carry out and visualize large scale molecular dynamics trajectory analyses.",

keywords = "Data intensive analysis, Molecular simulation",

author = "Straatsma, {T. P.}",

year = "2007",

doi = "10.1063/1.2836009",

language = "English",

isbn = "9780735404786",

series = "AIP Conference Proceedings",

number = "2",

pages = "1379--1382",

booktitle = "Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)",

edition = "2",

note = "International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 ; Conference date: 25-09-2007 Through 30-09-2007",

}

Straatsma, TP 2007, Data intensive analysis of biomolecular simulations. in Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). 2 edn, AIP Conference Proceedings, no. 2, vol. 963, pp. 1379-1382, International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007, Corfu, Greece, 09/25/07. https://doi.org/10.1063/1.2836009

Data intensive analysis of biomolecular simulations. / Straatsma, T. P.
Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). 2. ed. 2007. p. 1379-1382 (AIP Conference Proceedings; Vol. 963, No. 2).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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KW - Data intensive analysis

KW - Molecular simulation

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M3 - Conference contribution

AN - SCOPUS:65349161375

SN - 9780735404786

T3 - AIP Conference Proceedings

SP - 1379

EP - 1382

BT - Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)

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ER -

Data intensive analysis of biomolecular simulations

Abstract

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Keywords

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