Detecting Events in Molecular Dynamics Simulations

Adä, Iris; Berthold, Michael R.

Detecting Events in Molecular Dynamics Simulations

Dateien

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Datum

2013

Open Access-Veröffentlichung

Open Access Green

Sammlungen

Informatik und Informationswissenschaft

Publikationstyp

Beitrag zu einem Konferenzband

Publikationsstatus

Published

Erschienen in

TUCKER, Allan, ed., Frank HÖPPNER, ed., Arno SIEBES, ed., Stephen SWIFT, ed.. Advances in Intelligent Data Analysis XII. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013, pp. 44-55. Lecture Notes in Computer Science. 8207. ISBN 978-3-642-41397-1. Available under: doi: 10.1007/978-3-642-41398-8_5

Zusammenfassung

We describe the application of a recently published general event detection framework, called EVE to the challenging task of molecular event detection, that is, the automatic detection of structural changes of a molecule over time. Di erent types of molecular events can be of interest which have, in the past, been addressed by specialized methods. The framework used here allows di erent types of molecular events to be systematically investigated. In this paper, we summarize existing molecular event detection methods and demonstrate how EVE can be con figured for a number of molecular event types.

Fachgebiet (DDC)

004 Informatik

Schlagwörter

Event detection, Molecular Dynamics

Zitieren

ISO 690

ADÄ, Iris, Michael R. BERTHOLD, 2013. Detecting Events in Molecular Dynamics Simulations. In: TUCKER, Allan, ed., Frank HÖPPNER, ed., Arno SIEBES, ed., Stephen SWIFT, ed.. Advances in Intelligent Data Analysis XII. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013, pp. 44-55. Lecture Notes in Computer Science. 8207. ISBN 978-3-642-41397-1. Available under: doi: 10.1007/978-3-642-41398-8_5

BibTex

@inproceedings{Ada2013Detec-25608,
  year={2013},
  doi={10.1007/978-3-642-41398-8_5},
  title={Detecting Events in Molecular Dynamics Simulations},
  number={8207},
  isbn={978-3-642-41397-1},
  publisher={Springer Berlin Heidelberg},
  address={Berlin, Heidelberg},
  series={Lecture Notes in Computer Science},
  booktitle={Advances in Intelligent Data Analysis XII},
  pages={44--55},
  editor={Tucker, Allan and Höppner, Frank and Siebes, Arno and Swift, Stephen},
  author={Adä, Iris and Berthold, Michael R.}
}

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Universitätsbibliographie

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