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Frauke Gräter

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 23

Top Venues

Nature communications

Physical chemistry chemical physics : PCCP

Scientific reports

Journal of chemical theory and computation

Heidelberg University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Heidelberg University

Germany

Professor :: Interdisciplinary Center for Scientific Computing

Publications

Benedikt Rennekamp, Christoph Karfusehr, Markus Kurth, Aysecan Ünal, Debora Monego, Kai Riedmiller, Ganna Gryn'ova, David M Hudson, Frauke Gräter
Collagen breaks at weak sacrificial bonds taming its mechanoradicals. Nature communications 14 (1) (2023)
Svenja de Buhr, Frauke Gräter
Myristoyl's dual role in allosterically regulating and localizing Abl kinase. eLife 12 (2023)
Florian Franz, Rafael Tapia-Rojo, Sabina E Winograd-Katz, Rajaa Boujemaa-Paterski, Wenhong Li, Tamar Unger, Shira Albeck, Camilo Aponte-Santamaría, Sergi Garcia-Manyes, Ohad Medalia, Benjamin Geiger, Frauke Gräter
Allosteric activation of vinculin by talin. Nature communications 14 (1) (2023)
Wojtek Treyde, Kai Riedmiller, Frauke Gräter
Bond dissociation energies of X-H bonds in proteins. RSC advances 12 (53) (2022)
Wojtek Treyde, Kai Riedmiller, Frauke Gräter
Bond dissociation energies of X-H bonds in proteins. RSC advances 12 (53) (2022)
Isabel M Martin, Michele M Nava, Sara A Wickström, Frauke Gräter
ATP allosterically stabilizes integrin-linked kinase for efficient force generation. Proceedings of the National Academy of Sciences of the United States of America 119 (11) (2022)
Claudia L Gómez-Flores, Denis Maag, Mayukh Kansari, Van Quan Vuong, Stephan Irle, Frauke Gräter, Tomáš Kubař, Marcus Elstner
Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology. Journal of chemical theory and computation 18 (2) (2022)
Uladzimir Barayeu, Danny Schilling, Mohammad Eid, Thamara Nishida Xavier da Silva, Lisa Schlicker, Nikolina Mitreska, Christopher Zapp, Frauke Gräter, Aubry K Miller, Reinhard Kappl, Almut Schulze, José Pedro Friedmann Angeli, Tobias P Dick
Hydropersulfides inhibit lipid peroxidation and ferroptosis by scavenging radicals. Nature chemical biology (2022)
Matthias Brosz, Nicholas Michelarakis, Uwe H F Bunz, Camilo Aponte-Santamaría, Frauke Gräter
Martini 3 coarse-grained force field for poly( para -phenylene ethynylene)s. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Denis Maag, Marina Putzu, Claudia L Gómez-Flores, Frauke Gräter, Marcus Elstner, Tomáš Kubař
Electrostatic interactions contribute to the control of intramolecular thiol-disulfide isomerization in a protein. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Niccolò Banterle, Adrian Pascal Nievergelt, Svenja de Buhr, Georgios N Hatzopoulos, Charlène Brillard, Santiago Andany, Tania Hübscher, Frieda A Sorgenfrei, Ulrich Sebastian Schwarz, Frauke Gräter, Georg E Fantner, Pierre Gönczy
Kinetic and structural roles for the surface in guiding SAS-6 self-assembly to direct centriole architecture. Nature communications 12 (1) (2021)
Nicholas Michelarakis, Florian Franz, Konstantinos Gkagkas, Frauke Gräter
Longitudinal strand ordering leads to shear thinning in Nafion. Physical chemistry chemical physics : PCCP 23 (45) (2021)
Fan Jin, Frauke Gräter
How multisite phosphorylation impacts the conformations of intrinsically disordered proteins. PLoS computational biology 17 (5) (2021)
Christopher Zapp, Agnieszka Obarska-Kosinska, Benedikt Rennekamp, Markus Kurth, David M Hudson, Davide Mercadante, Uladzimir Barayeu, Tobias P Dick, Vasyl Denysenkov, Thomas Prisner, Marina Bennati, Csaba Daday, Reinhard Kappl, Frauke Gräter
Mechanoradicals in tensed tendon collagen as a source of oxidative stress. Nature communications 11 (1) (2020)
Steven Sheridan, Frauke Gräter, Csaba Daday
How Fast Is Too Fast in Force-Probe Molecular Dynamics Simulations? The journal of physical chemistry. B 123 (17) (2019)
Benedikt Rennekamp, Fabian Kutzki, Agnieszka Obarska-Kosinska, Christopher Zapp, Frauke Gräter
Hybrid Kinetic Monte Carlo/Molecular Dynamics Simulations of Bond Scissions in Proteins. Journal of chemical theory and computation 16 (1) (2019)
Florian Franz, Camilo Aponte-Santamaría, Csaba Daday, Vedran Miletić, Frauke Gräter
Stability of Biological Membranes upon Mechanical Indentation. The journal of physical chemistry. B 122 (28) (2018)
Camilo Aponte-Santamaría, Jan Brunken, Frauke Gräter
Stress Propagation through Biological Lipid Bilayers in Silico. Journal of the American Chemical Society 139 (39) (2017)
Johannes A Wagner, Sandeep P Patil, Imke Greving, Marc Lämmel, Konstantinos Gkagkas, Tilo Seydel, Martin Müller, Bernd Markert, Frauke Gräter
Stress-induced long-range ordering in spider silk. Scientific reports 7 (1) (2017)
Csaba Daday, Katra Kolšek, Frauke Gräter
The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations. Scientific reports 7 (1) (2017)
Katra Kolšek, Camilo Aponte-Santamaría, Frauke Gräter
Accessibility explains preferred thiol-disulfide isomerization in a protein domain. Scientific reports 7 (1) (2017)
Eduardo R Cruz-Chú, Shijun Xiao, Sandeep P Patil, Konstantinos Gkagkas, Frauke Gräter
Organic Filling Mitigates Flaw-Sensitivity of Nanoscale Aragonite. ACS biomaterials science & engineering 3 (3) (2017)
Davide Mercadante, Johannes A Wagner, Iker V Aramburu, Edward A Lemke, Frauke Gräter
Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins. Journal of chemical theory and computation 13 (9) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Frauke Gräter