Altering the orientation of proteins on self-assembled monolayers: a computational study.
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.
Department of Chemistry, University of Arizona, Tucson, Arizona 85716, USA. trzask@wag.caltech.edu
Bartosz
B
Trzaskowski
Filip
F
Leonarski
Andrzej
A
Leś
Ludwik
L
Adamowicz
D000327:Adsorption; D003198:Computer Simulation; D045304:Cytochromes c / Q000737:chemistry; D008962:Models, Theoretical; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry*; D013438:Sulfhydryl Compounds / Q000737:chemistry
D011506:Proteins; D013438:Sulfhydryl Compounds; D045304:Cytochromes c