Atomistic fibrillar architectures of polar prion-inspired heptapeptides.
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ABSTRACT:
SUBMITTER: Peccati F
PROVIDER: S-EPMC8163036 | biostudies-literature | 2020 Nov
REPOSITORIES: biostudies-literature
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Atomistic fibrillar architectures of polar prion-inspired heptapeptides.
Peccati Francesca F Díaz-Caballero Marta M Navarro Susanna S Rodríguez-Santiago Luis L Ventura Salvador S Sodupe Mariona M
Chemical science 20201102 48
This article provides the computational prediction of the atomistic architectures resulting from self-assembly of the polar heptapeptide sequences NYNYNYN, SYSYSYS and GYGYGYG. Using a combination of molecular dynamics and a newly developed tool for non-covalent interaction analysis, we uncover the properties of a new class of bionanomaterials, including hydrogen-bonded polar zippers, and the relationship between peptide composition, fibril geometry and weak interaction networks. Our results, co ...[more]
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