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

Abstract (Expand)

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"

Authors: 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

Date Published: 21st Jul 2016

Publication Type: Journal

von Willebrand factor is dimerized by protein disulfide isomerase

Abstract

Not specified

Authors: Svenja Lippok, Katra Kolšek, Achim Löf, Dennis Eggert, Willem Vanderlinden, Jochen P. Müller, Gesa König, Tobias Obser, Karoline Röhrs, Sonja Schneppenheim, Ulrich Budde, Carsten Baldauf, Camilo Aponte-Santamaría, Frauke Gräter, Reinhard Schneppenheim, Joachim O. Rädler, Maria A. Brehm

Date Published: 3rd Mar 2016

Publication Type: Journal

Rescuing the Over-Collapse of Intrinsically Disordered Proteins using a Force Field Derived by a New Paradigm

Abstract

Not specified

Authors: Davide Mercadante, Sigrid Milles, Gustavo Fuertes, Dmitri Svergun, Edward A Lemke, Frauke Gräter

Date Published: 2016

Publication Type: Journal

Minicollagen cysteine-rich domains encode distinct modes of polymerization to form stable nematocyst capsules

Abstract

Not specified

Authors: Anja Tursch, Davide Mercadante, Jutta Tennigkeit, Frauke Gräter, Suat Özbek

Date Published: 2016

Publication Type: Journal

Transition Path Sampling with Quantum/Classical Mechanics for Reaction Rates

Abstract

Not specified

Authors: Frauke Gräter, Wenjin Li

Date Published: 2015

Publication Type: InCollection

A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation

Abstract

Not specified

Authors: David Peralta, Agnieszka K Bronowska, Bruce Morgan, Éva Dóka, Koen Van Laer, Péter Nagy, Frauke Gräter, Tobias P Dick

Date Published: 2015

Publication Type: Journal

Allosteric Regulation of Focal Adhesion Kinase by PIP 2 and ATP

Abstract

Not specified

Authors: Jing Zhou, Agnieszka Bronowska, Johanne Le Coq, Daniel Lietha, Frauke Gräter

Date Published: 2015

Publication Type: Journal

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