Literature DB >> 29557348

Fast Normal Mode Computations of Capsid Dynamics Inspired by Resonance.

Hyuntae Na1, Guang Song2.   

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 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.
© 2018 IOP Publishing Ltd.

Entities:  

Keywords:  assemblies; capsomere; dynamics; normal modes; resonance; viral capsid

Year:  2018        PMID: 29557348     DOI: 10.1088/1478-3975/aab813

Source DB:  PubMed          Journal:  Phys Biol        ISSN: 1478-3967            Impact factor:   2.583


  2 in total

1.  Bridging between material properties of proteins and the underlying molecular interactions.

Authors:  Guang Song
Journal:  PLoS One       Date:  2021-05-05       Impact factor: 3.240

2.  All-atom normal mode dynamics of HIV-1 capsid.

Authors:  Hyuntae Na; Guang Song
Journal:  PLoS Comput Biol       Date:  2018-09-18       Impact factor: 4.475

  2 in total

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