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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, Vol. 8, 09.2016, p. 1080-7.

Research output: SCORING: Contribution to journal › SCORING: Journal article › Research › peer-review

Harvard

Posch, S, Aponte-Santamaría, C, Schwarzl, R, Karner, A, Radtke, M, Gräter, F, Obser, T, König, G, Brehm, MA, Gruber, HJ, Netz, RR, Baldauf, C, Schneppenheim, R, Tampé, R & Hinterdorfer, P 2016, 'Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor', DATA BRIEF, vol. 8, pp. 1080-7. https://doi.org/10.1016/j.dib.2016.07.031

APA

Posch, S., Aponte-Santamaría, C., Schwarzl, R., Karner, A., Radtke, M., Gräter, F., Obser, T., König, G., Brehm, M. A., Gruber, H. J., Netz, R. R., Baldauf, C., Schneppenheim, R., Tampé, R., & Hinterdorfer, P. (2016). Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor. DATA BRIEF, 8, 1080-7. https://doi.org/10.1016/j.dib.2016.07.031

Vancouver

Posch S, Aponte-Santamaría C, Schwarzl R, Karner A, Radtke M, Gräter F et al. Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor. DATA BRIEF. 2016 Sep;8:1080-7. https://doi.org/10.1016/j.dib.2016.07.031

Bibtex

@article{5e218ccb18304660b0001ea68465bf62,
title = "Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor",
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].",
keywords = "Journal Article",
author = "Sandra Posch and Camilo Aponte-Santamar{\'i}a and Richard Schwarzl and Andreas Karner and Matthias Radtke and Frauke Gr{\"a}ter and Tobias Obser and Gesa K{\"o}nig and Brehm, {Maria A} and Gruber, {Hermann J} and Netz, {Roland R} and Carsten Baldauf and Reinhard Schneppenheim and Robert Tamp{\'e} and Peter Hinterdorfer",
year = "2016",
month = sep,
doi = "10.1016/j.dib.2016.07.031",
language = "English",
volume = "8",
pages = "1080--7",
journal = "DATA BRIEF",
issn = "2352-3409",
publisher = "Elsevier BV",

}

RIS

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 -