Identification of metastable states in peptide's dynamics
Journal article, 2010

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.

protein-folding kinetics

hydration

validation

molecular-dynamics

gromos force-field

models

simulations

53a6

Author

Svitlana Ruzhytska

Chalmers, Energy and Environment

Martin Nilsson Jacobi

Chalmers, Energy and Environment, Physical Resource Theory

C. H. Jensen

University of Cambridge

D. Nerukh

University of Cambridge

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 133 16 164102

Subject Categories

Physical Sciences

DOI

10.1063/1.3493333

More information

Latest update

5/2/2018 7