C3 - Gerwert / Ollesch (2011-2014)  


  • Gavriljuk, K., Gazdag, E.-M., Itzen, A., Kötting, C., Goody, R.S., Gerwert, K.,  Catalytic mechanism of a mammalian Rab·RabGAP complex in atomic detail, Proc. Natl. Acad. Sci., 109, 21348-21353 (2012).

  • Syberg, F., Suveyzdis, Y., Kötting, C., Gerwert, K., Hofmann, E., Time-resolved Fourier Transform Infrared Spectroscopy of the Nucleotide-binding Domain from the ATP-binding Cassette Transporter MsbA, Journal of Biological Chemistry 287 (28), 23923-23931.

  • Xia, F., Rudack, T., Cui, Q., Kötting, C., Gerwert, K., Detailed structure of the H2PO4--GDP intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulations, Journal of the American Chemical Society, DOI: 10.1021/ja310496e.  

  • Kallenbach-Thieltges, A., Großerüschkamp, F., Mosig, A., Diem, M., Tannapfel, A., Gerwert, K., Immunohistochemistry, histopathology and infrared spectral histopathology of colon cancer tissue sections, J. Biophotonics, Special Issue 1-13 (2012).

  • Güldenhaupt, J., Rudack, T., Bachler, P., Mann, D., Triola, G., Waldmann, H., Kötting, C. and Gerwert, K., N-Ras Forms Dimers at POPC Membranes, Biophys. J. 103, 1585-1593 (2012).

  • Rudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K., The role of magnesium for geometry and charge in GTP hydrolysis, revealed by QM/MM simulations, Biophysical Journal, July 2012 (103), 293-302.

  • Rudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K., Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations, Proc. Natl. Acad. Sci., 109, 15295-15300 (2012).

  • Li, W., Rudack, T., Gerwert, K., Gräter, F., Schlitter, J., Exploring the multi-dimensional free energy surface of phosphoester hydrolysis with constrained QM/MM dynamics, J. Chem. Theory Comput., April 26, 2012, DOI: 10.1021/ct300022m

  • Pinkerneil, P., Güldenhaupt, J., Gerwert, K., Kötting, C., Surface attached polyhistidine-tag proteins characterized by FTIR difference spectroscopy, ChemPhysChem 2012, 13, 2649 – 2653.

  • Deckert-Gaudig T., Böhme R., Freier E., Sebesta A., Merkendorf T., Popp J., Gerwert K., Deckert V., Nanoscale distinction of membrane patches - a TERS study of Halobacterium salinarum, Journal of Biophotonics, 5, No. 7, 582-591 (2012).

  • Eisenhauer K., Kuhne J., Ritter E., Berndt, A., Wolf S., Freier E., Bartl F., Hegemann P., Gerwert K.,  In channelrhodopsin-2 E90 is crucial for ion selectivity and is deprotonated during the photocycle, Journal of Biological Chemistry, 287 (9), 6904-6911 (2012).

  • Gelis, L., Wolf, S., Hatt, H., Neuhaus, E.M., Gerwert, K., Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling,  Angew. Chem., 51, 1274-1278 (2012). 

  • Kötting, C., Güldenhaupt, J., Gerwert, K., Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayer

  • Chemical Physics, 396, 72-83 (2012).



  • Fei, X., Rudack, T., Kötting, C., Schlitter, J., Gerwert, K., The Specific Normal Modes of GTP in Solution and bound to the Ras Protein: A Detailed Theoretical Analysis Revealed by QM/MM Simulations, Phys. Chem. Chem. Phys., 2011, 13, 21451–21460. 

  • Schneider, M., Wolf, S., Schlitter, J., Gerwert, K., The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays, FEBS Letters 585, 3587-3592 (2011).

  • Strutz-Seebohm, N. Pusch, M., Wolf, S., Stoll, R. Tapken, D., Gerwert, K., Attali, B., Seebohm, G., Structural Basis of Slow Activation Gating in the Cardiac IKs Channel Complex, Cell Physiol Biochem 27, 443-452 (2011).

  • Freier, E., Wolf, S., Gerwert, K., Proton transfer via a transient linear water-molecule chain in a membrane protein, PNAS 108 (28), 11435-11439 (2011).

  C3 - Gerwert / Ollesch (2011-2014)