Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor
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Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor. / Posch, Sandra; Aponte-Santamaría, Camilo; Schwarzl, Richard; Karner, Andreas; Radtke, Matthias; Gräter, Frauke; Obser, Tobias; König, Gesa ; Brehm, Maria A; Gruber, Hermann J; Netz, Roland R; Baldauf, Carsten; Schneppenheim, Reinhard; Tampé, Robert; Hinterdorfer, Peter.
in: DATA BRIEF, Jahrgang 8, 09.2016, S. 1080-7.Publikationen: SCORING: Beitrag in Fachzeitschrift/Zeitung › SCORING: Zeitschriftenaufsatz › Forschung › Begutachtung
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TY - JOUR
T1 - Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor
AU - Posch, Sandra
AU - Aponte-Santamaría, Camilo
AU - Schwarzl, Richard
AU - Karner, Andreas
AU - Radtke, Matthias
AU - Gräter, Frauke
AU - Obser, Tobias
AU - König, Gesa
AU - Brehm, Maria A
AU - Gruber, Hermann J
AU - Netz, Roland R
AU - Baldauf, Carsten
AU - Schneppenheim, Reinhard
AU - Tampé, Robert
AU - Hinterdorfer, Peter
PY - 2016/9
Y1 - 2016/9
N2 - 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].
AB - 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].
KW - Journal Article
U2 - 10.1016/j.dib.2016.07.031
DO - 10.1016/j.dib.2016.07.031
M3 - SCORING: Journal article
C2 - 27508268
VL - 8
SP - 1080
EP - 1087
JO - DATA BRIEF
JF - DATA BRIEF
SN - 2352-3409
ER -