Nature Communications · 2018 · 120 citations · 43 references
Natural SciencesBiochemistryChemistryBiomaterialsNanomaterialsStructural BiologyMacromolecular StructureSecondary StructureSecondary Structure FormationSelf-assembled NanostructuresSelf-assemblySelf-assembly Of NanomaterialsAmphiphilic Self-assemblyBeta SheetsHydrogen BondingNanostructuresPeptide AmphiphilesPeptide Self-assemblyRational DesignSelf-assembling Peptide Nanomaterials
Peptide self-assembly is a hierarchical process, often starting with the formation of α-helices, β-sheets or β-hairpins. However, how the secondary structures undergo further assembly to form higher-order architectures remains largely unexplored. The polar zipper originally proposed by Perutz is formed between neighboring β-strands of poly-glutamine via their side-chain hydrogen bonding and helps to stabilize the sheet. By rational design of short amphiphilic peptides and their self-assembly, here we demonstrate the formation of polar zippers between neighboring β-sheets rather than between β-strands within a sheet, which in turn intermesh the β-sheets into wide and flat ribbons. Such a super-secondary structural template based on well-defined hydrogen bonds could offer an agile route for the construction of distinctive nanostructures and nanomaterials beyond β-sheets.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations
Natural Sciences, Chemistry, Physics +17