Identification of metastable states in peptide's dynamics |
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| Authors: | Ruzhytska Svitlana Jacobi Martin Nilsson Jensen Christian H Nerukh Dmitry |
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| Institution: | Department of Energy and Environment, Chalmers University of Technology, Gothenburg 412 96, Sweden. svitlana@chalmers.se |
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| Abstract: | 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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