Atomistic fibrillar architectures of polar prion-inspired heptapeptides

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...

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Veröffentlicht in:	Chemical science (Cambridge) 2020-12, Vol.11 (48), p.13143-13151
Hauptverfasser:	Peccati, Francesca, Díaz-Caballero, Marta, Navarro, Susanna, Rodríguez-Santiago, Luis, Ventura, Salvador, Sodupe, Mariona
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Hydrogen bonding Molecular dynamics Nanomaterials Self-assembly Structural analysis Zippers
Online-Zugang:	Volltext
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