Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

Sandra Posch, Camilo Aponte-Santamaria, Richard Schwarzl, Andreas Karner, Matthias Radtke, Frauke Gräter, Tobias Obser, Gesa König, Maria A. Brehm, Hermann Gruber, Roland Netz, Carsten Baldauf, Reinhard Schneppenheim, Robert Tampe, Peter Hinterdorfer

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

We here give information for a deeper understanding of single molecule force spectroscopy (SMFS) data through the example of the blood protein von Willebrand factor (VWF). It is also shown, how fitting of rupture forces versus loading rate profiles in the molecular dynamics (MD) loading-rate range can be used to demonstrate the qualitative agreement between SMFS and MD simulations. The recently developed model by Bullerjahn, Sturm, and Kroy (BSK) was used for this demonstration. Further, Brownian dynamics (BD) simulations, which can be utilized to estimate the lifetimes of intramolecular VWF interactions under physiological shear, are described. For interpretation and discussion of the methods and data presented here, we would like to directly point the reader to the related research paper, “Mutual A domain interactions in the force sensing protein von Willebrand Factor” (Posch et al., 2016) [1].

Original languageEnglish
Pages (from-to)1080-1087
Number of pages8
JournalData in Brief
Volume8
DOIs
Publication statusPublished - Sep 2016

Keywords

  • Atomic force microscopy
  • Brownian dynamics simulation
  • Molecular dynamics simulation
  • Single molecule force spectroscopy
  • von Willebrand factor

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