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Molecular Dynamics Simulations of Conformational Conversions in Transformer Proteins

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Protein Supersecondary Structures

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1958))

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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.

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Authors and Affiliations

  1. Department of Physics, Florida International University, Miami, FL, USA

    Bernard S. Gerstman, Prem P. Chapagain, Jeevan GC & Timothy Steckmann

Authors
  1. Bernard S. Gerstman
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  2. Prem P. Chapagain
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  3. Jeevan GC
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  4. Timothy Steckmann
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Corresponding author

Correspondence to Bernard S. Gerstman .

Editor information

Editors and Affiliations

  1. Department of Mathematics, Rutgers University, Piscataway, NJ, USA

    Alexander E. Kister

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Gerstman, B.S., Chapagain, P.P., GC, J., Steckmann, T. (2019). Molecular Dynamics Simulations of Conformational Conversions in Transformer Proteins. In: Kister, A. (eds) Protein Supersecondary Structures. Methods in Molecular Biology, vol 1958. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-9161-7_15

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  • DOI: https://doi.org/10.1007/978-1-4939-9161-7_15

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-9160-0

  • Online ISBN: 978-1-4939-9161-7

  • eBook Packages: Springer Protocols

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