Berlin 2018 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

BP: Fachverband Biologische Physik

BP 28: Single Molecule Biophysics

BP 28.3: Vortrag

Donnerstag, 15. März 2018, 10:00–10:15, H 1058

Tuneable reversibility in force probe simulations — •Stefan Jaschonek and Gregor Diezemann — Institut für Physikalische Chemie, Duesbergweg 10-14, 55128 Mainz

In this talk a detailed study of the dependence of force probe molecular dynamics (FPMD) simulations on the pulling parameters is presented. As a model system, the well studied calix[4]arene catenane dimer was chosen. This system consists of two “cups”, the calixarene structure, which are mechanically locked by aliphatic loops of tuneable length, realized by a catenane structure. The dimer shows reversible rebinding meaning that the opening and the rebinding transition can be monitored. Due to the tuneable loop length it is possible to gain full control over the energy landscape. The kinetics of the system can be understood in terms of a two state model for shorter loops (≤ 14 CH₂ units) and a three state model for longer loops (≥ 17 CH₂ units).

The impact of a systematical variation of the pulling parameters, the pulling velocity V and the stiffness K, of the externally applied potential and the loop length of the system are discussed. Furthermore the characteristic unbinding and rebinding forces are analyzed and the kinetic rates are extracted.