Altering the orientation of proteins on self-assembled monolayers: A computational study

Bartosz Trzaskowski; Filip Leonarski; Andrzej Leś; Ludwik Adamowicz

doi:10.1021/bm800806n

Altering the orientation of proteins on self-assembled monolayers: A computational study

Bartosz Trzaskowski, Filip Leonarski, Andrzej Leś, Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	3239-3245
Number of pages	7
Journal	Biomacromolecules
Volume	9
Issue number	11
DOIs	https://doi.org/10.1021/bm800806n
State	Published - Nov 2008

ASJC Scopus subject areas

Bioengineering
Biomaterials
Polymers and Plastics
Materials Chemistry

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10.1021/bm800806n

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abstract = "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.",

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Altering the orientation of proteins on self-assembled monolayers: A computational study

Abstract

ASJC Scopus subject areas

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