Role of Hydrophobicity on Self-Assembly by Peptide Amphiphiles via Molecular Dynamics Simulations

Using a novel coarse-grained model, large-scale molecular dynamics simulations were performed to examine self-assembly of 800 peptide amphiphiles (sequence palmitoyl-V3A3E3). Under suitable physiological conditions, these molecules readily assemble into nanofibers leading to hydrogel construction as...

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Veröffentlicht in:	Langmuir 2014-07, Vol.30 (26), p.7745-7754
Hauptverfasser:	Fu, Iris W, Markegard, Cade B, Chu, Brian K, Nguyen, Hung D
Format:	Artikel
Sprache:	eng
Schlagworte:	Biocompatible Materials - chemistry Hydrophobic and Hydrophilic Interactions Molecular Dynamics Simulation Nanostructures - chemistry Peptides - chemistry Protein Structure, Secondary
Online-Zugang:	Volltext
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