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: | College of Engineering & Physical Sciences > Systems analytics research institute (SARI) Aston University (General) |
| 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,General Medicine,General Physics and Astronomy |
| Publication ISSN: | 1089-7690 |
| Last Modified: | 04 Nov 2024 08:14 |
| Date Deposited: | 01 Nov 2010 13:07 |
| Full Text Link: |
http://jcp.aip. ... /i16/p164102_s1 |
| Related URLs: |
http://www.scop ... tnerID=8YFLogxK
(Scopus URL) |
PURE Output Type: | Article |
| Published Date: | 2010-10-25 |
| Authors: |
Ruzhytska, Svitlana
Jacobi, Martin N. Jensen, Christian H. Nerukh, Dmitry ( 
0000-0001-9005-9919)
|
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