Davies, RPW, Liu, B, Maude, S et al. (4 more authors) (2018) Peptide strand length controls the energetics of self‐assembly and morphology of β‐sheet fibrils. Peptide Science, 110 (1). e23073. ISSN 0006-3525
Abstract
Self‐assembling peptides can be used as versatile, natural, and multifunctional building blocks to produce a variety of well‐defined nanostructures, materials and devices for applications in medicine and nanotechnology. Here, we concentrate on the 1D self‐assembly of de novo designed Px‐2 peptide β‐strands into anti‐parallel β‐sheet tapes and higher order aggregates. We study six members of the Px‐2 family, ranging from 3 amino acids (aa) to 13 aa in length, using a range of complementary experimental techniques, computer simulation and theoretical statistical mechanics. The critical concentration for self‐assembly (c*) is found to increase systematically with decreasing peptide length. The shortest peptide found to self‐assemble into soluble β‐tapes in water is a 5 amino acid residue peptide. These investigations help decipher the role of the peptide length in controlling self‐assembly, aggregate morphology, and material properties. By extracting free energies from these data using a statistical mechanical analysis and combining the results with computer simulations at the atomistic level, we can extract the entropy of association for individual β‐strands.
Metadata
Item Type: | Article |
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Copyright, Publisher and Additional Information: | © 2017 Wiley Periodicals, Inc. This is the peer reviewed version of the following article: Davies RPW, Liu B, Maude S, et al. Peptide strand length controls the energetics of self‐assembly and morphology of β‐sheet fibrils. Peptide Science. 2018;110:e23073., which has been published in final form at https://doi.org/10.1002/bip.23073. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Atomistic Computer Simulation; Peptide Self-Assembly; Statistical Mechanics |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Physics and Astronomy (Leeds) > Theoretical Physics (Leeds) The University of Leeds > Faculty of Medicine and Health (Leeds) > School of Dentistry (Leeds) > Oral Biology (Leeds) |
Funding Information: | Funder Grant number Dutch Polymer Institute DPI/26102006 |
Depositing User: | Symplectic Publications |
Date Deposited: | 07 Nov 2017 14:27 |
Last Modified: | 11 Nov 2018 01:39 |
Status: | Published |
Publisher: | Wiley |
Identification Number: | 10.1002/bip.23073 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:123577 |