Altering the Orientation of Proteins on Self-Assembled Monolayers: A Computational Study

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• 作者：Bartosz Trzaskowski ; Filip Leonarski ; Andrzej Leś ; Ludwik Adamowicz
• 刊名：Biomacromolecules
• 出版年：2008
• 出版时间：November 10, 2008
• 年：2008
• 卷：9
• 期：11
• 页码：3239-3245
• 全文大小：242K
• 年卷期：v.9,no.11(November 10, 2008)
• ISSN：1526-4602

文摘

A combined computational docking−molecular dynamics study has been performed on a system consisting of cytochrome c protein and alkanethiol self-assembled monolayers of various geometries. The results suggest that the orientation of the protein on the surface may be controlled or altered by means of designing specific structural motifs on the surface. The proposed computational approach may be used as a fast and reliable tool to complement other theoretical and experimental techniques of exploring other protein−surface interfaces.