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Thermomechanical Properties of Anti-Parallel β-Sheets with Bombyx mori Silk Nanostructures [Gly-Ser-Gly-Ala-Gly-Ala]n and [Gly-Ala]n

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Abstract:

The present study aims to investigate temperature dependence of anisotropic mechanical properties of anti-parallel beta pleated sheets with Bombyx mori silk nanostructures in sequence of [Gly-Ser-Gly-Ala-Gly-Ala]n and commonly used model in sequence of [Gly-Ala]n. Classical molecular dynamics simulation method was used to carry out calculations, preliminary, at 300K. Ionic interactions were modeled by CHARMM force field method. Substitution of Ala with Ser residue results with a gradual conformational change in the stress-strain.

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Periodical:

Materials Science Forum (Volume 856)

Pages:

74-77

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.856.74

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Online since:

May 2016

Authors:

Seçkin D. Günay, Ünsal Akdere, Baki Aksakal, Tahir Çağın, Çetin Tasseven*

Keywords:

Anti-Parallel β-Sheets, Bombyx mori, Molecular Dynamics, Stress-Strain

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© 2016 Trans Tech Publications Ltd. All Rights Reserved

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