Wiita, A. P.; Perez-Jimenez, R.; Walther, K. A.; Gräter, F.; Berne, B. J.; Holmgren, A.; Sanchez-Ruiz, J. M.; Fernandez, J. M.: Probing the chemistry of thioredoxin catalysis with force. Nature 450 (7166), pp. 124 - 127 (2007)

Gräter, F.; de Groot, B. L.; Jiang, H.; Grubmueller, H.: Ligand-Release Pathways in the Pheromone-Binding Protein of Bombyx mori. Structure 14 (10), pp. 1567 - 1576 (2006)

Gräter, F.; Xu, W.; Leal, W.; Grubmueller, H.: Pheromone Discrimination by the Pheromone-Binding Protein of Bombyx mori. Structure 14 (10), pp. 1577 - 1586 (2006)

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. 38th Conference on Neural Information Processing Systems (NeurIPS 2024). (2024)

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)