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Slow Collective Variables of Macromolecular Systems

  • Hiqmet Kamberaj
Chapter
  • 70 Downloads
Part of the Scientific Computation book series (SCIENTCOMP)

Abstract

This chapter aims to discuss different methods used to determine the frequency spectrum of the motions in a macromolecular system, namely the normal modes, principal components analysis, and the time-lagged auto-encoder machine learning approach.

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Copyright information

© Springer Nature Switzerland AG 2020

Authors and Affiliations

  • Hiqmet Kamberaj
    • 1
    • 2
  1. 1.Computer EngineeringInternational Balkan UniversitySkopjeNorth Macedonia
  2. 2.Advanced Computing Research CenterUniversity of New York TiranaTiranaAlbania

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