Identification of metastable states in peptide's dynamics

Svitlana Ruzhytska, Martin N. Jacobi, Christian H. Jensen, Dmitry Nerukh

Research output: Contribution to journalArticle

Abstract

A recently developed spectral method for identifying metastable states in Markov chains is used to analyse the conformational dynamics of a four residue peptide Valine-Proline-Alanine-Leucine. We compare our results to empirically defined conformational states and show that the found metastable states correctly reproduce the conformational dynamics of the system.
Original languageEnglish
Article number164102
Pages (from-to)164102
Number of pages1
JournalJournal of Chemical Physics
Volume133
Issue number16
DOIs
Publication statusPublished - 25 Oct 2010

Fingerprint

Markov Chains
Valine
Proline
Leucine
Alanine
metastable state
peptides
leucine
Peptides
spectral methods
Markov chains
alanine
Markov processes

Bibliographical note

Copyright 2010 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in (citation of published article) and may be found at http://jcp.aip.org/resource/1/jcpsa6/v133/i16/p164102_s1.

Keywords

  • spectral method
  • metastable states
  • Markov chains
  • conformational dynamics
  • four-residue peptide valine-proline-alanine-leucine

Cite this

Ruzhytska, Svitlana ; Jacobi, Martin N. ; Jensen, Christian H. ; Nerukh, Dmitry. / Identification of metastable states in peptide's dynamics. In: Journal of Chemical Physics. 2010 ; Vol. 133, No. 16. pp. 164102.
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Ruzhytska, S, Jacobi, MN, Jensen, CH & Nerukh, D 2010, 'Identification of metastable states in peptide's dynamics', Journal of Chemical Physics, vol. 133, no. 16, 164102, pp. 164102. https://doi.org/10.1063/1.3493333

Identification of metastable states in peptide's dynamics. / Ruzhytska, Svitlana; Jacobi, Martin N.; Jensen, Christian H.; Nerukh, Dmitry.

In: Journal of Chemical Physics, Vol. 133, No. 16, 164102, 25.10.2010, p. 164102.

Research output: Contribution to journalArticle

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