Identification of metastable states in peptide’s dynamics | Zendy

Svitlana Ruzhytska | Zendy; Martin Nilsson Jacobi | Zendy; Christian H. Jensen | Zendy; Dmitry Nerukh | Zendy

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Identification of metastable states in peptide’s dynamics

Author(s) -

Svitlana Ruzhytska,

Martin Nilsson Jacobi,

Christian H. Jensen,

Dmitry Nerukh

Publication year - 2010

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3493333

Subject(s) - metastability , markov chain , valine , molecular dynamics , chemistry , peptide , dynamics (music) , alanine , statistical physics , physics , computational chemistry , mathematics , amino acid , biochemistry , statistics , organic chemistry , acoustics

A recently developed spectral method for identifying metastable states in Markov chains is used to analyze 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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