Identification of metastable states in peptide's dynamics

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

doi:10.1063/1.3493333

Identification of metastable states in peptide's dynamics

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

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

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 language	English
Article number	164102
Pages (from-to)	164102
Number of pages	1
Journal	Journal of Chemical Physics
Volume	133
Issue number	16
DOIs	https://doi.org/10.1063/1.3493333
Publication status	Published - 25 Oct 2010

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

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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.

http://jcp.aip.org/resource/1/jcpsa6/v133/i16/p164102_s1

Cite this

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title = "Identification of metastable states in peptide's dynamics",

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.",

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AU - Ruzhytska, Svitlana

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AU - Jensen, Christian H.

AU - Nerukh, Dmitry

N1 - 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.

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KW - conformational dynamics

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ER -

Identification of metastable states in peptide's dynamics

Abstract

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Keywords

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