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List of works by Frauke Gräter

A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge

scientific article

A new method for the construction of coarse-grained models of large biomolecules from low-resolution cryo-electron microscopy data

scientific article published on 01 May 2019

A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13

scientific article

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

scientific article published on 12 January 2015

Accessibility explains preferred thiol-disulfide isomerization in a protein domain.

scientific article

Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology

scientific article published on 03 January 2022

Advances in molecular simulations of protein mechanical properties and function

scientific article published on 15 January 2020

Allosteric regulation of focal adhesion kinase by PIP₂ and ATP.

scientific article

An allosteric signaling pathway of human 3-phosphoglycerate kinase from force distribution analysis

scientific article

Autoregulation of von Willebrand factor function by a disulfide bond switch.

scientific article published on 28 February 2018

Base-Catalyzed Peptide Hydrolysis Is Insensitive to Mechanical Stress

scientific article published on 02 August 2011

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

scientific article published on 12 April 2011

CONAN: A Tool to Decode Dynamical Information from Molecular Interaction Maps.

scientific article published in March 2018

Controlling the structure of proteins at surfaces.

scientific article

Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements

scientific article

Dissecting Entropic Coiling and Poor Solvent Effects in Protein Collapse

scientific article published on 12 August 2008

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

scientific article

Dynamic Allostery of the Catabolite Activator Protein Revealed by Interatomic Forces

scientific article (publication date: August 2015)

Dynamic allostery in the methionine repressor revealed by force distribution analysis

scientific article

Dynamic disorder can explain non-exponential kinetics of fast protein mechanical unfolding

scientific article published on 19 October 2016

Dynamic prestress in a globular protein

scientific article published on 10 May 2012

Emergence of Hierarchical Modularity in Evolving Networks Uncovered by Phylogenomic Analysis

scientific article published on 05 September 2019

Energetics and Kinetics of Membrane Permeation of Photoresists for Bioprinting

scientific article published on 30 March 2024

Evolutionary optimization of protein folding

scientific article

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

scientific article published on 29 May 2012

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

scientific article

Fluctuations of primary ubiquitin folding intermediates in a force clamp

scientific article

Force distribution analysis of mechanochemically reactive dimethylcyclobutene.

scientific article

Force distribution reveals signal transduction in E. coli Hsp90.

scientific article published on 20 November 2012

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions

scientific article published on May 2015

Glycosylation Enhances Peptide Hydrophobic Collapse by Impairing Solvation

scientific article published on 01 August 2010

Graphene mechanics: I. Efficient first principles based Morse potential.

scientific article

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

scientific article published on 01 June 2014

How ARVC-Related Mutations Destabilize Desmoplakin: An MD Study

scientific article published on 30 January 2019

How Fast Is Too Fast in Force-Probe Molecular Dynamics Simulations?

scientific article published on 22 April 2019

How fast does a signal propagate through proteins?

scientific article (publication date: 2013)

How multisite phosphorylation impacts the conformations of intrinsically disordered proteins

scientific article published on 04 May 2021

How sequence determines elasticity of disordered proteins

scientific article

Hybrid Kinetic Monte Carlo/Molecular Dynamics Simulations of Bond Scissions in Proteins

scientific article published on 04 December 2019

Identification of allosteric disulfides from prestress analysis

scientific article published on August 2014

Inositol hexakisphosphate increases the size of platelet aggregates

scientific article published on 14 December 2018

Isopeptide bonds mechanically stabilize spy0128 in bacterial pili

scientific article published on May 2013

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

scientific article

Macromolecular Entropy Can Be Accurately Computed from Force.

scientific article published in November 2014

Mechanical Force Can Fine-Tune Redox Potentials of Disulfide Bonds ⬇️

scientific article published on February 7, 2012

Mechanical network in titin immunoglobulin from force distribution analysis

scientific article

Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations

scientific article published on 5 November 2004

Mechanism of Focal Adhesion Kinase Mechanosensing

scientific article

Mechano-redox control of integrin de-adhesion

scientific article published on 22 June 2018

Mechanoenzymatics of titin kinase

scientific article

Mechanoradicals in tensed tendon collagen as a source of oxidative stress

scientific article published on 08 May 2020

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

scientific article published on 11 May 2016

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

scientific article

Molecular Dynamics Simulations of Molecules in Uniform Flow

scientific article published on 08 February 2019

Molecular anatomy of a trafficking organelle

scientific article

Molecular basis of the mechanical hierarchy in myomesin dimers for sarcomere integrity.

scientific article published on August 2014

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.

scientific article published in January 2017

Mutual A domain interactions in the force sensing protein von Willebrand factor.

scientific article

Myristoyl’s dual role in allosterically regulating and localizing Abl kinase

scientific article published on 16 October 2023

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

scientific article published on 27 July 2012

On the mechanism of spontaneous thiol-disulfide exchange in proteins

scientific article published on 01 June 2018

One-Way Allosteric Communication between the Two Disulfide Bonds in Tissue Factor.

scientific article published in January 2017

Origin of Orthogonality of Strain-Promoted Click Reactions

scientific article published on 14 July 2015

Pheromone discrimination by the pheromone-binding protein of Bombyx mori.

scientific article published on October 2006

Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes

scientific article

Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors

scientific article published on 7 October 2015

Possible pathway(s) of testosterone egress from the active site of cytochrome P450 2B1: a steered molecular dynamics simulation.

scientific article published on 8 April 2005

Probing molecular forces in multi-component physiological membranes.

scientific article published on 27 November 2017

Probing the chemistry of thioredoxin catalysis with force

scientific article

Protein S-Bacillithiolation Functions in Thiol Protection and Redox Regulation of the Glyceraldehyde-3-Phosphate Dehydrogenase Gap in Staphylococcus aureus Under Hypochlorite Stress

scientific article published on 14 December 2016

Protein mechanics: how force regulates molecular function

scientific article published on 19 June 2013

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

scientific article published on 01 May 2005

Rate-dependent behavior of the amorphous phase of spider dragline silk.

scientific article published on June 2014

Redox Potentials of Protein Disulfide Bonds from Free-Energy Calculations

scientific article published on 21 April 2015

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

scientific article published on 14 August 2017

Shear-induced unfolding activates von Willebrand factor A2 domain for proteolysis

scientific article published on 08 October 2009

Signatures of hydrophobic collapse in extended proteins captured with force spectroscopy

scholarly article

Silk fiber mechanics from multiscale force distribution analysis

scientific article published on March 2011

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

scientific article

Stability of Biological Membranes upon Mechanical Indentation

scientific article published on 05 July 2018

Stress Propagation through Biological Lipid Bilayers in Silico

scientific article

Stress-induced long-range ordering in spider silk.

scientific article published on 10 November 2017

Structural and mechanistic insights into mechanoactivation of focal adhesion kinase

scientific article published on 15 March 2019

Structure of the human KMN complex and implications for regulation of its assembly

scientific article published on 8 March 2024

Studying Functional Disulphide Bonds by Computer Simulations

scientific article published on 01 January 2019

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins

scientific article published in January 2024

The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations.

scientific article published on 15 September 2017

The plakin domain of C. elegans VAB-10/plectin acts as a hub in a mechanotransduction pathway to promote morphogenesis

scientific article published on 13 December 2019

Time-resolved force distribution analysis

scientific article

Transition path sampling with quantum/classical mechanics for reaction rates

scientific article published in January 2015

Two Differential Binding Mechanisms of FG-Nucleoporins and Nuclear Transport Receptors

scientific article published in March 2018

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology

scientific article published on 22 October 2018

Unique amino acid signatures that are evolutionarily conserved distinguish simple-type, epidermal and hair keratins

scientific article

Viscous friction between crystalline and amorphous phase of dragline silk

scientific article

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor

scientific article published on 06 March 2014

von Willebrand factor directly interacts with DNA from neutrophil extracellular traps.

scientific article published in May 2014

von Willebrand factor is dimerized by protein disulfide isomerase

scientific article

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