학술논문
Altering the Orientation of Proteins on Self-Assembled Monolayers: A Computational Study.
Document Type
Article
Source
Subject
*PROTEIN analysis
*COMPUTATIONAL biology
*MOLECULAR dynamics
*CYTOCHROMES
*MONOMOLECULAR films
*BIOLOGICAL interfaces
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Language
ISSN
1525-7797
Abstract
A combined computational docking−molecular dynamics study has been performed on a system consisting of cytochrome cprotein 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. [ABSTRACT FROM AUTHOR]