Fast normal mode computations of capsid dynamics inspired by resonance

Hyuntae Na, Guang Song

Research output: Contribution to journalArticle

6 Scopus citations

Abstract

Increasingly more and larger structural complexes are being determined experimentally. The sizes of these systems pose a formidable computational challenge to the study of their vibrational dynamics by normal mode analysis. To overcome this challenge, this work presents a novel resonance-inspired approach. Tests on large shell structures of protein capsids demonstrate that there is a strong resonance between the vibrations of a whole capsid and those of individual capsomeres. We then show how this resonance can be taken advantage of to significantly speed up normal mode computations.

Original languageEnglish (US)
Article number046003
JournalPhysical Biology
Volume15
Issue number4
DOIs
StatePublished - Apr 30 2018

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Structural Biology
  • Molecular Biology
  • Cell Biology

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