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

Posch, S., Aponte-Santamaría, C., Schwarzl, R., Karner, A., Radtke, M., Gräter, F., et al. (2016). Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor. Data in Brief, 8, 1080-1087. doi:10.1016/j.dib.2016.07.031.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002B-46EE-2 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002C-A491-4
Genre: Journal Article

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2016
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© 2016 The Author(s). Published by Elsevier Inc.
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http://creativecommons.org/licenses/by/4.0/

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 Creators:
Posch, Sandra1, Author
Aponte-Santamaría, Camilo2, Author
Schwarzl, Richard3, Author
Karner, Andreas4, Author
Radtke, Matthias3, Author
Gräter, Frauke2, Author
Obser, Tobias5, Author
König, Gesa5, Author
Brehm, Maria A.5, Author
Gruber, Hermann J.1, Author
Netz, Roland R.3, Author
Baldauf, Carsten6, Author           
Schneppenheim, Reinhard5, Author
Tampé, Robert7, Author
Hinterdorfer, Peter1, 4, Author
Affiliations:
1Department of Applied Experimental Biophysics, Institute of Biophysics, Johannes Kepler University, Linz, Austria, ou_persistent22              
2Molecular Biomechanics Group, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany, ou_persistent22              
3Department of Physics, FU Berlin, Berlin, Germany, ou_persistent22              
4Center for Advanced Bioanalysis GmbH (CBL), Linz, Austria, ou_persistent22              
5Department of Pediatric Hematology and Oncology, University Medical Center Hamburg -Eppendorf, Hamburg, Germany, ou_persistent22              
6Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
7Institute of Biochemistry, Biocenter, Goethe-University Frankfurt, Frankfurt/Main, Germany, ou_persistent22              

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 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)

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 Dates: 2016-07-042016-04-282016-07-182016-07-212016-09
 Publication Status: Issued
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.dib.2016.07.031
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Title: Data in Brief
Source Genre: Journal
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Publ. Info: Dordrecht : Elsevier
Pages: 8 Volume / Issue: 8 Sequence Number: - Start / End Page: 1080 - 1087 Identifier: ISSN: 2352-3409
CoNE: https://pure.mpg.de/cone/journals/resource/2352-3409