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Molecular Dynamics Simulations of Conformational Conversions in Transformer Proteins

  • Bernard S. GerstmanEmail author
  • Prem P. Chapagain
  • Jeevan GC
  • Timothy Steckmann
Protocol
Part of the Methods in Molecular Biology book series (MIMB, volume 1958)

Abstract

A relatively recently discovered class of proteins known as transformer proteins undergo large-scale conformational conversions that change their supersecondary structure. These structural transformations lead to different configurations that perform different functions. We describe computational methods using molecular dynamics simulations that allow the determination of the specific amino acids that facilitate the conformational transformations. These investigations provide guidance on the location and type of amino acid mutations that can either enhance or inhibit the structural transitions that allow transformer proteins to perform multiple functions.

Key words

Transformer proteins Molecular dynamics Amyloid Ebola VP40 

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Bernard S. Gerstman
    • 1
    Email author
  • Prem P. Chapagain
    • 1
  • Jeevan GC
    • 1
  • Timothy Steckmann
    • 1
  1. 1.Department of PhysicsFlorida International UniversityMiamiUSA

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