Publications of Frauke Gräter

Takamori, S.; Holt, M.; Stenius, K.; Lemke, E. A.; Gronborg, M.; Riedel, D.; Urlaub, H.; Schenck, S.; Bruegger, B.; Ringler, P. et al.; Mueller, S. A.; Rammner, B.; Gräter, F.; Hub, J. S.; De Groot, B. L.; Mieskes, G.; Moriyama, Y.; Klingauf, J.; Grubmueller, H.; Heuser, J.; Wieland, F.; Jahn, R.: Molecular anatomy of a trafficking organelle. Cell 127 (4), pp. 831 - 846 (2006)

Andresen, M.; Wahl, M.; Stiel, A.; Gräter, F.; Schäfer, L.; Trowitzsch, S.; Weber, G.; Eggeling, C.; Grubmüller, H.; Hell, S. et al.; Jakobs, S.: Structure and mechanism of the reversible photoswitch of a fluorescent protein. Proceedings of the National Academy of Sciences of the United States of America 102 (37), pp. 13070 - 13074 (2005)

Gräter, F.; Schwarzl, S.; Dejaegere, A.; Fischer, S.; Smith, J.: Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanics. The Journal of Physical Chemistry B 109 (20), pp. 10474 - 10483 (2005)

Gräter, F.; Shen, J.; Jiang, H.; Gautel, M.; Grubmüller, H.: Mechanically Induced Titin Kinase Activation Studied by Force-Probe Molecular Dynamics Simulations. Biophysical Journal 88 (2), pp. 790 - 804 (2005)

Li, W.; Liu, H.; Scott, E.; Gräter, F.; Halpert, J.; Luo, X.; Shen, J.; Jiang, H.: Possible pathway(s) of testosterone egress from the active site of cytochrome P450 2B1: A steered molecular dynamics simulation. Drug Metabolism and Disposition 33 (7), pp. 910 - 919 (2005)

Gräter, F.; Li, W.: Studying Functional Disulphide Bonds by Computer Simulations. In: Functional Disulphide Bonds: Methods and Protocols. Humana Press, New York (2019)

Gräter, F.; Li, W.: Transition path sampling with quantum/classical mechanics for reaction rates. In: Molecular Modeling of Proteins, pp. 27 - 45 (2015)

Gräter, F.: Strained Molecules: Insights from Force Distribution Analysis. In: MODELING OF MOLECULAR PROPERTIES, pp. 301 - 310 (Ed. Comba, P.). Wiley-VCH, Weinheim (2011)

Wagner, S.; Seute, L.; Viliuga, V.; Wolf, N.; Gräter, F.; Stühmer, J.: Generating Highly Designable Proteins with Geometric Algebra Flow Matching. In: NeurIPS, 207061. 38th Conference on Neural Information Processing Systems (NeurIPS 2024), Vancouver, December 09, 2024 - December 15, 2024. Neural information processing systems foundation (2024)

Higham, J.; Chou, S.-Y.; Gräter, F.; Henchman, R. H.: Entropy of flexible liquids from hierarchical force-torque covariance and coordination. 25th Biennial Conference on Thermodynamics, Edinburgh, SCOTLAND, September 05, 2017 - September 08, 2017. Molecular Physics 116 (15-16, Special Issue), pp. 1965 - 1976 (2018)

Zhou, J.; Bronowska, A.; Costescu, B.; Gräter, F.: Focal Adhesion Kinase as a Cellular Mechano-Sensor. In: High Performance Computing in Science and Engineering ‘13, pp. 663 - 669. Springer (2013)

Stacklies, W.; Gräter, F.: Force Distribution in Proteins from Molecular Dynamics Simulations. In: THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, pp. 233 - 235 (Eds. Wei, D.; Wang, X.). American Institute of Physics, Melville, NY (2009)

Boushehri, S.; Aponte-Santamaría, C.; Gräter, F.: Effect of O-Glycans on Structure and Friction of the Intrinsically Disordered Synovial Joint Protein Lubricin. In European Biophysics Journal, 52 (Special Issue, Suppl. 1), P-22, p. S72 - S72. 14th European Biophysics Congress (EBSA), Stockholm, Sweden, July 31, 2023 - August 04, 2023. Springer, Berlin (2023)

Gräter, F.: How Functional Disulfides Regulate Proteins In Blood Flow. In Free Radical Biology and Medicine, 180 (Supplement 1), P13, p. S10 - S10. 28th Annual Conference of the Society-for-Redox-Biology-and-Medicine (SFRBM), November 15, 2021 - November 18, 2021. Pergamon, New York (2022)

Kurth, M.; Barayeu, U.; Zapp, C.; Kappl, R.; Dick, T.; Hudson, D. M.; Gräter, F.: A role for dihydroxyphenylalanine (DOPA) and its radical as marker for mechanical stress in collagen. In European Biophysics Journal, 50 (Suppl. 1, Special Issue), P-150, p. 135 - 135. 13th EBSA congress, Vienna, Austria, July 24, 2021 - July 28, 2021. Springer, Berlin (2021)

Herrera, A. M.; Dasanna, A. K.; Schwarz, U. S.; Gräter, F.: Flow-Induced Self-Assembly of Spider Silk from Multi-Scale Simulations. In Biophysical Journal, 118 (3, Supplement 1), 2345-Pos, p. 479A - 479A. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, February 15, 2020 - February 19, 2020. Cell Press, Cambridge, Mass. (2020)

Daday, C.; Acebrón, I.; Simon, M.; Righetto, R.; Lietha, D.; Gräter, F.: When an Enzyme Self-Assembles on a Membrane: Focal Adhesion Kinase. In Biophysical Journal, 114 (3, Supplement 1), 314-Pos, p. 61A - 61A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Cell Press, Cambridge, Mass. (2018)

Obarska-Kosinska, A.; Zapp, C.; Gräter, F.: How Collagen Fibrils Dynamically Distribute and Measure Stresses. In Biophysical Journal, 114 (3, Supplement 1), 1962-Plat, pp. 398A - 399A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Cell Press, Cambridge, Mass. (2018)

Zapp, C.; Obarska-Kosinska, A.; Daday, C.; Kappl, R.; Gräter, F.: Mechanosensation through Radicals in Tensed Collagen. In Biophysical Journal, 114 (3, Supplement 1), 575-Pos, p. 113A - 113A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Cell Press, Cambridge, Mass. (2018)

Franz, F.; Aponte-Santamaría, C.; Garcia-Manyes, S.; Gräter, F.: Punching Membranes: How Lipid Bilayers Withstand and Propagate Mechanical Load. In Biophysical Journal, 114 (3, Supplement 1), 2782-Plat, p. 562A - 562A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Cell Press, Cambridge, Mass. (2018)