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1

Silk Fiber Mechanics from Multiscale Force Distribution Analysis

Cetinkaya, Murat, Xiao, Senbo, Markert, Bernd, Stacklies, Wolfram, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 714 KB

english, 2011

2

Graphene mechanics: II. Atomic stress distribution during indentation until rupture

Costescu, Bogdan I., Gräter, Frauke

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

3

Glycosylation Enhances Peptide Hydrophobic Collapse by Impairing Solvation

Shanmei Cheng, Scott A. Edwards, Yindi Jiang, Frauke Gräter

Journal:

Year:

2010

Language:

english

File:

PDF, 636 KB

english, 2010

4

Probing the chemistry of thioredoxin catalysis with force

Wiita, Arun P., Perez-Jimenez, Raul, Walther, Kirstin A., Gräter, Frauke, Berne, B. J., Holmgren, Arne, Sanchez-Ruiz, Jose M., Fernandez, Julio M.

Journal:

Year:

2007

Language:

english

File:

PDF, 799 KB

english, 2007

5

Pheromone Discrimination by the Pheromone-Binding Protein of Bombyx mori

Frauke Gräter, Wei Xu, Walter Leal, Helmut Grubmüller

Journal:

Year:

2006

Language:

english

File:

PDF, 466 KB

english, 2006

6

Ligand-Release Pathways in the Pheromone-Binding Protein of Bombyx mori

Frauke Gräter, Bert L. de Groot, Hualiang Jiang, Helmut Grubmüller

Journal:

Year:

2006

Language:

english

File:

PDF, 711 KB

english, 2006

7

A New Transferable Forcefield for Simulating the Mechanics of CaCO3 Crystals

Xiao, Shijun, Edwards, Scott A., Gräter, Frauke

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.95 MB

english, 2011

8

Fluctuations of primary ubiquitin folding intermediates in a force clamp

Frauke Gräter, Helmut Grubmüller

Journal:

Journal of Structural Biology

Year:

2007

Language:

english

File:

PDF, 2.74 MB

english, 2007

9

Mechanical Response of Silk Crystalline Units from Force-Distribution Analysis

Xiao, Senbo, Stacklies, Wolfram, Cetinkaya, Murat, Markert, Bernd, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 804 KB

english, 2009

10

How Sequence Determines Elasticity of Disordered Proteins

Cheng, Shanmei, Cetinkaya, Murat, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 432 KB

english, 2010

11

Mechanical Force Can Fine-Tune Redox Potentials of Disulfide Bonds

Baldus, Ilona B., Gräter, Frauke

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 423 KB

english, 2012

12

Mechanically Induced Titin Kinase Activation Studied by Force-Probe Molecular Dynamics Simulations

Gräter, Frauke, Shen, Jianhua, Jiang, Hualiang, Gautel, Mathias, Grubmüller, Helmut

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 996 KB

english, 2005

13

Evolutionary Optimization of Protein Folding

Debès, Cédric, Wang, Minglei, Caetano-Anollés, Gustavo, Gräter, Frauke, Nussinov, Ruth

Journal:

PLoS Computational Biology

Year:

2013

Language:

english

File:

PDF, 488 KB

english, 2013

14

Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics

Li, Wenjin, Rudack, Till, Gerwert, Klaus, Gräter, Frauke, Schlitter, Jürgen

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 3.40 MB

english, 2012

15

Dissecting the structural determinants for the difference in mechanical stability of silk and amyloid beta-sheet stacks

Xiao, Senbo, Xiao, Shijun, Gräter, Frauke

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.58 MB

english, 2013

16

Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics

Gräter, Frauke, Schwarzl, Sonja M., Dejaegere, Annick, Fischer, Stefan, Smith, Jeremy C.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 190 KB

english, 2005

17

Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene

Li, Wenjin, Edwards, Scott A., Lu, Lanyuan, Kubar, Tomas, Patil, Sandeep P., Grubmüller, Helmut, Groenhof, Gerrit, Gräter, Frauke

Journal:

Year:

2013

Language:

english

File:

PDF, 1.18 MB

english, 2013

18

Time-resolved force distribution analysis

Bogdan I Costescu, Frauke Gräter

Journal:

Year:

2013

Language:

english

File:

PDF, 357 KB

english, 2013

19

Effects of crystalline subunit size on silk fiber mechanics

Cetinkaya, Murat, Xiao, Senbo, Gräter, Frauke

Journal:

Year:

2011

Language:

english

File:

PDF, 423 KB

english, 2011

20

Force-Dependent Platelet Binding of the Von Willebrand Factor A1-A2 Complex from Atomistic Simulations

Aponte-Santamaría, Camilo A., Baldauf, Carsten, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 38 KB

english, 2013

21

Force Distribution Reveals Signal Transduction in E. coli Hsp90

Seifert, Christian, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 925 KB

english, 2012

22

Isopeptide Bonds Mechanically Stabilize Spy0128 in Bacterial Pili

Wang, Bo, Xiao, Shijun, Edwards, Scott A., Gräter, Frauke

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 753 KB

english, 2013

23

Single-Molecule Force Spectroscopy Reveals the Function of Titin Kinase as Force Sensor

Puchner, Elias M., Alexandrovich, Alexander, Kho, Ay L., Hensen, Ulf, Schäfer, Lars V., Brandmeier, Birgit, Gräter, Frauke, Grubmüller, Helmut, Gautel, Mathias, Gaub, Hermann E.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 33 KB

english, 2009

24

Nano-Scale Mechanics of Nacre: Forces at Protein-Crystal Linkages and Flaws

Xiao, Shijun, Edwards, Scott A., Gräter, Frauke

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 95 KB

english, 2012

25

Prestress in Protein Disulfide Bonds Tunes their Stabilities

Zhou, Beifei, Baldus, Ilona, Edwards, Scott, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 51 KB

english, 2013

26

Protein mechanics: How force regulates molecular function

Seifert, Christian, Gräter, Frauke

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Year:

2013

Language:

english

File:

PDF, 568 KB

english, 2013

27

An Allosteric Signaling Pathway of Human 3-Phosphoglycerate Kinase

Palmai, Zoltan, Seifert, Christian, Gräter, Frauke, Balog, Erika

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 41 KB

english, 2014

28

Identification of Allosteric Disulfides from Prestress Analysis

Zhou, Beifei, Baldus, Ilona B., Li, Wenjin, Edwards, Scott A., Gräter, Frauke

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 616 KB

english, 2014

29

Molecular Basis of the Mechanical Hierarchy in Myomesin Dimers for Sarcomere Integrity

Xiao, Senbo, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

30

On the Cis to Trans Isomerization of Prolyl–Peptide Bonds under Tension

Chen, Jian, Edwards, Scott A., Gräter, Frauke, Baldauf, Carsten

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

31

Macromolecular Entropy Can Be Accurately Computed from Force

Hensen, Ulf, Gräter, Frauke, Henchman, Richard H.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 884 KB

english, 2014

32

Bottom-up computational modeling of semi-crystalline fibers: from atomistic to continuum scale

Cetinkaya, Murat, Xiao, Senbo, Gräter, Frauke

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.49 MB

english, 2011

33

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

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

Journal:

Nature Chemical Biology

Year:

2015

Language:

english

File:

PDF, 2.92 MB

english, 2015

34

Allosteric Regulation of Focal Adhesion Kinase by PIP2 and ATP

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

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 1.21 MB

english, 2015

35

Redox Potentials of Protein Disulfide Bonds from Free-Energy Calculations

Li, Wenjin, Baldus, Ilona B., Gräter, Frauke

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

36

Kirkwood–Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields

Mercadante, Davide, Milles, Sigrid, Fuertes, Gustavo, Svergun, Dmitri I., Lemke, Edward A., Gräter, Frauke

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.67 MB

english, 2015

37

An Allosteric Signaling Pathway of Human 3-Phosphoglycerate Kinase from Force Distribution Analysis

Palmai, Zoltan, Seifert, Christian, Gräter, Frauke, Balog, Erika, Wei, Guanghong

Journal:

PLoS Computational Biology

Year:

2014

Language:

english

File:

PDF, 3.79 MB

english, 2014

38

A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge

Beckmann, Anna, Xiao, Senbo, Müller, Jochen P, Mercadante, Davide, Nüchter, Timm, Kröger, Niels, Langhojer, Florian, Petrich, Wolfgang, Holstein, Thomas W, Benoit, Martin, Gräter, Frauke, Özbek, Suat

Journal:

Year:

2015

Language:

english

File:

PDF, 1.71 MB

english, 2015

39

Dynamic Allostery in the Methionine Repressor Revealed by Force Distribution Analysis

Stacklies, Wolfram, Xia, Fei, Gräter, Frauke, Nussinov, Ruth

Journal:

PLoS Computational Biology

Year:

2009

Language:

english

File:

PDF, 760 KB

english, 2009

40

Mechanical Network in Titin Immunoglobulin from Force Distribution Analysis

Stacklies, Wolfram, Vega, M. Cristina, Wilmanns, Matthias, Gräter, Frauke, Ranganathan, Rama

Journal:

PLoS Computational Biology

Year:

2009

Language:

english

File:

PDF, 538 KB

english, 2009

41

Minimum energy compact structures in force-quench polyubiquitin folding are domain swapped

Fei Xia, D. Thirumalai, Frauke Gräter and José N. Onuchic

Journal:

Proceedings of the National Academy of Sciences

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

42

Fast-folding α-helices as reversible strain absorbers in the muscle protein myomesin

Felix Berkemeier, Morten Bertz, Senbo Xiao, Nikos Pinotsis, Matthias Wilmanns, Frauke Gräter and Matthias Rief

Journal:

Proceedings of the National Academy of Sciences

Year:

2011

Language:

english

File:

PDF, 1.27 MB

english, 2011

43

Modelling Cysteine Disulfide Exchange Reactions by Molecular Dynamics Simulations

Kolšek, Katra, Aponte-Santamaría, Camilo, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 39 KB

english, 2016

44

Origin of Orthogonality of Strain-Promoted Click Reactions

Wagner, Johannes A., Mercadante, Davide, Nikić, Ivana, Lemke, Edward A., Gräter, Frauke

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

45

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

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

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 44 KB

english, 2016

46

A New and Un-Conventional Ultrafast Binding Mechanism of Intrinsically Disordered Proteins to Structured Partners

Mercadante, Davide, Milles, Sigrid, Lemke, Edward A., Gräter, Frauke

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 45 KB

english, 2015

47

Plasticity of Nucleoporin Nuclear Transport Receptor Interactions - Molecular Description of a Highly Dynamic, Ultrafast Interaction Mechanism

Valle Aramburu, Iker, Mercadante, Davide, Milles, Sigrid, Ringkjøbing, Malene, Banterle, Niccolò, Koehler, Christine, Tyagi, Swati, Clarke, Jane, Shammas, Sarah L., Blackledge, Martin, Gräter, Frauke,

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 46 KB

english, 2016

48

Mutual a Domain Interactions in the Force Sensing Protein von Willebrand Factor (VWF)

Posch, Sandra, Aponte-Santamaria, Camilo, Gräter, Frauke, Obser, Tobias, König, Gesa, Brehm, Maria A., Gruber, Hermann J., Schneppenheim, Reinhard, Tampé, Robert, Hinterdorfer, Peter

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 41 KB

english, 2016

49

Mutual A domain interactions in the force sensing 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., Baldau

Journal:

Journal of Structural Biology

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

50

Mechanosignalling of Focal Adhesion Kinase

Zhou, Jing, Aponte-Santamaria, Camilo, Bronowska, Agnieszka, Gräter, Frauke

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 43 KB

english, 2015

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