Identification of metastable states in peptide's dynamics

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

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    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
    Issue number16
    Publication statusPublished - 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


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


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