Adsorption of Protein on a Au Surface Studied by All-Atom Atomistic Simulations

In this work, the adsorption of protein on a Au surface coated by self-assembled monolayers (SAMs) of alkanethiol chains is studied by molecular dynamics simulations with an all-atom model. Particularly, a more realistic embedded-atom method potential has been used to characterize the Au–Au interact...

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Veröffentlicht in:Journal of physical chemistry. C 2016-06, Vol.120 (24), p.13103-13112
Hauptverfasser: Wei, Aoran, Deng, Chuang
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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