Regensburg 2016 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
BP: Fachverband Biologische Physik
BP 27: Computational Biophysics
BP 27.3: Vortrag
Dienstag, 8. März 2016, 10:15–10:30, H43
The internal dynamics and early adsorption stages of fibrinogen investigated by molecular dynamics simulations — Stephan Köhler1, Friederike Schmid1, and •Giovanni Settanni1,2 — 1Johannes Gutenberg University, Mainz, Germany — 2Max-Planck Graduate Center with the University of Mainz
Fibrinogen, a plasma glycoprotein of vertebrates, plays an essential role in blood clotting by polymerizing into fibrin upon activation. It also contributes, upon adsorption on material surfaces, to determine their biocompatibility and has been implicated as a cause of thrombosis and inflammation at medical implants. Here we present the first fully atomistic simulations of the initial stages of the adsorption process of fibrinogen on mica and graphite surfaces. The simulations reveal a weak adsorption on mica that allows frequent desorption and reorientation events. This adsorption is driven by electrostatic interactions between the protein and the silicate surface as well as the counter ion layer. Preferred adsorption orientations for the globular regions of the protein are identified. The adsorption on graphite is found to be stronger with fewer reorientation and desorption events, and showing the onset of denaturation of the protein.