Identification of metastable states in peptide's dynamics

Ruzhytska, Svitlana, Jacobi, Martin N., Jensen, Christian H. and Nerukh, Dmitry (2010). Identification of metastable states in peptide's dynamics. Journal of Chemical Physics, 133 (16), p. 164102.

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.

Publication DOI: https://doi.org/10.1063/1.3493333
Divisions: Engineering & Applied Sciences > Mathematics
Engineering & Applied Sciences > Systems analytics research institute (SARI)
Additional Information: 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.
Uncontrolled Keywords: spectral method,metastable states,Markov chains,conformational dynamics,four-residue peptide valine-proline-alanine-leucine,Physical and Theoretical Chemistry,Medicine(all),Physics and Astronomy(all)
Full Text Link: http://jcp.aip. ... /i16/p164102_s1
Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
Published Date: 2010-10-25
Authors: Ruzhytska, Svitlana
Jacobi, Martin N.
Jensen, Christian H.
Nerukh, Dmitry ( 0000-0001-9005-9919)

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