Einträge von Gerwert, Klaus auf dem Publikationsserver

Althoff, Philipp, Labudda, Kristin, Höweler, Udo, Lübben, Mathias , Gerwert, Klaus, Kötting, Carsten und Rudack, Till (2026) A fast and accurate method for light induced isomerization of retinal proteins in real time. bioRxiv. Volltext nicht vorhanden.

Kötting, Carsten, Rudack, Till und Gerwert, Klaus (2025) Mechanistic insights into Ras-catalyzed GTP hydrolysis: conformational dynamics, catalytic mechanisms, and emerging therapeutic strategies. Biological Chemistry.

Scherlo, Marvin, Phillips, Dominic, Künne, Ricarda, Ippoliti, Emiliano, Gerwert, Klaus, Kötting, Carsten, Carloni, Paolo, Mey, Antonia S. J. S. und Rudack, Till (2025) IR spectroscopy: from experimental spectra to high-resolution structural analysis by integrating simulations and machine learning. The Journal of Physical Chemistry B 129 (45), S. 11652-11665.

Scherlo, Marvin, Höveler, Adrian, Mann, Marvin, Gerwert, Grischa, Güldenhaupt, Jörn, Gerwert, Klaus, Rudack, Till und Kötting, Carsten (2025) Replacement of a single residue in an antibody completely abolishes cognate antigen binding, as predicted by theoretical methods. Computational and Structural Biotechnology Journal 27, S. 4363-4372.

Labudda, Kristin, Norahan, Mohamad Javad, Hübner, Lisa-Marie, Althoff, Philipp, Gerwert, Klaus, Lübben, Mathias , Rudack, Till und Kötting, Carsten (2025) A second photoactivatable state of the anion-conducting channelrhodopsin GtACR1 empowers persistent activity. Communications Biology 8, S. 1183.

Dreier, Max-Aylmer, Althoff, Philipp, Norahan, Mohamad Javad, Tennigkeit, Stefan Alexander , El-Mashtoly, Samir F., Lübben, Mathias , Kötting, Carsten , Rudack, Till und Gerwert, Klaus (2021) Time-resolved spectroscopic and electrophysiological data reveal insights in the gating mechanism of anion channelrhodopsin. Communications Biology 4, S. 578.

Rudack, Till , Teuber, Christian, Scherlo, Marvin, Güldenhaupt, Jörn, Schartner, Jonas, Lübben, Mathias , Klare, Johann P. , Gerwert, Klaus und Kötting, Carsten (2021) The Ras dimer structure. Chemical Science 12 (23), S. 8178-8189.

Acharya, Atanu, Stockmann, Julia, Beyer, Léon, Rudack, Till, Nabers, Andreas, Gumbart, James C., Gerwert, Klaus und Batista, Victor S. (2020) The Effect of (−)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary Structure. Biophysical Journal 119 (2), S. 349-359. Volltext nicht vorhanden.

Eickelbeck, Dennis , Rudack, Till , Tennigkeit, Stefan Alexander , Surdin, Tatjana, Karapinar, Raziye, Schwitalla, Jan‐Claudius, Mücher, Brix, Shulman, Maiia, Scherlo, Marvin, Althoff, Philipp, Mark, Melanie D. , Gerwert, Klaus und Herlitze, Stefan (2019) Lamprey Parapinopsin (“UVLamP”): a Bistable UV‐Sensitive Optogenetic Switch for Ultrafast Control of GPCR Pathways. ChemBioChem 21 (5), S. 612-617.

Calixto, Ana R. , Moreira, Cátia , Pabis, Anna , Kötting, Carsten , Gerwert, Klaus , Rudack, Till und Kamerlin, Shina C.L. (2019) GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPases. Journal of the American Chemical Society 141 (27), S. 10684-10701. Volltext nicht vorhanden.

Tennigkeit, Stefan Alexander , Karapinar, Raziye, Rudack, Till , Dreier, Max‐Aylmer , Althoff, Philipp, Eickelbeck, Dennis , Surdin, Tatjana, Grömmke, Michelle, Mark, Melanie D. , Spoida, Katharina, Lübben, Mathias , Höweler, Udo, Herlitze, Stefan und Gerwert, Klaus (2019) Design of an Ultrafast G Protein Switch Based on a Mouse Melanopsin Variant. ChemBioChem 20 (14), S. 1766-1771.

Massarczyk, Matthias, Schlitter, Jürgen, Kötting, Carsten, Rudack, Till und Gerwert, Klaus (2018) Monitoring transient events in infrared spectra using local mode analysis. Proteins: Structure, Function, and Bioinformatics 86 (10), S. 1013-1019.

Rudack, Till, Jenrich, Sarah, Brucker, Sven, Vetter, Ingrid R., Gerwert, Klaus und Kötting, Carsten (2015) Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. Journal of Biological Chemistry 290 (40), S. 24079-24090.

Xia, Fei, Rudack, Till, Cui, Qiang, Kötting, Carsten und Gerwert, Klaus (2012) Detailed Structure of the H2PO4––Guanosine Diphosphate Intermediate in Ras-GAP Decoded from FTIR Experiments by Biomolecular Simulations. Journal of the American Chemical Society 134 (49), S. 20041-20044. Volltext nicht vorhanden.

Güldenhaupt, Jörn, Rudack, Till, Bachler, Peter, Mann, Daniel, Triola, Gemma, Waldmann, Herbert, Kötting, Carsten und Gerwert, Klaus (2012) N-Ras Forms Dimers at POPC Membranes. Biophysical Journal 103 (7), S. 1585-1593. Volltext nicht vorhanden.

Rudack, Till, Xia, Fei, Schlitter, Jürgen, Kötting, Carsten und Gerwert, Klaus (2012) Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations. Proceedings of the National Academy of Sciences of the USA (PNAS) 109 (38), S. 15295-15300. Volltext nicht vorhanden.

Rudack, Till, Xia, Fei, Schlitter, Jürgen, Kötting, Carsten und Gerwert, Klaus (2012) The Role of Magnesium for Geometry and Charge in GTP Hydrolysis, Revealed by Quantum Mechanics/Molecular Mechanics Simulations. Biophysical Journal 103 (2), S. 293-302. Volltext nicht vorhanden.

Li, Wenjin, Rudack, Till, Gerwert, Klaus, Gräter, Frauke und Schlitter, Jürgen (2012) Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics. Journal of Chemical Theory and Computation 8 (10), S. 3596-3604. Volltext nicht vorhanden.

Xia, Fei, Rudack, Till, Kötting, Carsten, Schlitter, Jürgen und Gerwert, Klaus (2011) The specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulations. Physical Chemistry Chemical Physics 13 (48), S. 21451-21460. Volltext nicht vorhanden.