TY  - GEN
A1  - Posch, Sandra
A1  - Aponte-Santamaría, Camilo
A1  - Schwarzl, Richard
A1  - Karner, Andreas
A1  - Radtke, Matthias
A1  - Gräter, Frauke
A1  - Obser, Tobias
A1  - König, Gesa
A1  - Brehm, Maria A.
A1  - Gruber, Hermann J.
A1  - Netz, Roland R.
A1  - Baldauf, Carsten
A1  - Schneppenheim, Reinhard
A1  - Tampé, Robert
A1  - Hinterdorfer, Peter
T1  - Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor
T2  - Data in Brief
N2  - Sandra Posch, Camilo Aponte-Santamaría, Richard Schwarzl, Andreas Karner, Matthias Radtke, Frauke Gräter, Tobias Obser, Gesa König, Maria A. Brehm, Hermann J. Gruber, Roland R. Netz, Carsten Baldauf, Reinhard Schneppenheim, Robert Tampé, Peter Hinterdorfer
Mutual A domain interactions in the force sensing protein von Willebrand factor
Journal of Structural Biology, Volume 197, Issue 1, January 2017, Pages 57-64. https://doi.org/10.1016/j.jsb.2016.04.012

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).
KW  - Atomic force microscopy
KW  - Single molecule force spectroscopy
KW  - Molecular dynamics simulation
KW  - Brownian dynamics simulation
KW  - von Willebrand factor
Y1  - 2016
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/53505
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-535053
SN  - 2352-3409
VL  - 8
SP  - 1080
EP  - 1087
PB  - Elsevier
CY  - Amsterdam [u.a.]
ER  -