A comparison of peptide amphiphile nanofiber macromolecular assembly strategies

. Supramolecular peptide nanofibers that are composed of peptide amphiphile molecules have been widely used for many purposes from biomedical applications to energy conversion. The self-assembly mechanisms of these peptide nanofibers also provide convenient models for understanding the self-assembly...

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Bibliographic Details
Published in:The European physical journal. E, Soft matter and biological physics Soft matter and biological physics, 2019-05, Vol.42 (5), p.63-7, Article 63
Main Authors: Dana, Aykutlu, Tekinay, Ayse B., Tekin, E. Deniz
Format: Article
Language:English
Subjects:
Biological and Medical Physics
Biomedical materials
Biophysics
Complex Fluids and Microfluidics
Complex Systems
Computer simulation
Condensed matter physics
Energy conversion
Molecular dynamics
Nanofibers
Nanotechnology
Peptides
Physics
Physics and Astronomy
Polymer Sciences
Regular Article
Self-assembly
Soft and Granular Matter
Surfaces and Interfaces
Thin Films
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Summary:. Supramolecular peptide nanofibers that are composed of peptide amphiphile molecules have been widely used for many purposes from biomedical applications to energy conversion. The self-assembly mechanisms of these peptide nanofibers also provide convenient models for understanding the self-assembly mechanisms of various biological supramolecular systems; however, the current theoretical models that explain these mechanisms do not sufficiently explain the experimental results. In this study, we present a new way of modeling these nanofibers that better fits with the experimental data. Molecular dynamics simulations were applied to create model fibers using two different layer models and two different tilt angles. Strikingly, the fibers which were modeled to be tilting the peptide amphiphile molecules and/or tilting the plane were found to be more stable and consistent with the experiments. Graphical abstract
ISSN:1292-8941
1292-895X
DOI:10.1140/epje/i2019-11827-6