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Molecular Dynamics of Small Peptides Using Ergodic Trajectories

  • K. V. ShaitanEmail author
  • K. B. Tereshkina
Chapter
  • 755 Downloads

Abstract

A comparative study of the molecular dynamics of natural amino acid residues and some of their homologs and isomers is carried out. MD protocols not interfering with a principle of equidistribution of energy on degrees of freedom are used. Poincare cross-sections are considered. Dynamic properties of conformational degrees of freedom in series amino acid residues are classified.

Key words

molecular dynamics thermostats peptides ergodicity attractors 

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Copyright information

© Springer Science+Business Media, Inc. 2006

Authors and Affiliations

  1. 1.Lomonosov Moscow State UniversityMoscowRussia

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