Dluhosch, D. ; Kersten, L. S. ; Schott-Verdugo, S. ; Hoppen, C. ; Schwarten, M. ; Willbold, D. ; Gohlke, H. ; Groth, G. , Structure and dimerization properties of the plant-specific copper chaperone CCH, Scientific reports 14(1), 19099 (2024)
Gentile, R. ; Modric, M. ; Thiele, B. ; Jaeger, K.-E. ; Kovacic, F. ; Schott-Verdugo, S. ; Gohlke, H. , Molecular Mechanisms Underlying Medium-Chain Free Fatty Acid-Regulated Activity of the Phospholipase PlaF from Pseudomonas aeruginosa, JACS Au 4(3), 958 - 973 (2024)
Case, D. A. ; Aktulga, H. M. ; Belfon, K. ; Cerutti, D. S. ; Cisneros, G. A. ; Cruzeiro, V. W. D. ; Forouzesh, N. ; Giese, T. J. ; Götz, A. W. ; Gohlke, H. ; Izadi, S. ; Kasavajhala, K. ; Kaymak, M. C. ; King, E. ; Kurtzman, T. ; Lee, T.-S. ; Li, P. ; Liu, J. ; Luchko, T. ; Luo, R. ; Manathunga, M. ; Machado, M. R. ; Nguyen, H. M. ; O’Hearn, K. A. ; Onufriev, A. V. ; Pan, F. ; Pantano, S. ; Qi, R. ; Rahnamoun, A. ; Risheh, A. ; Schott-Verdugo, S. ; Shajan, A. ; Swails, J. ; Wang, J. ; Wei, H. ; Wu, X. ; Wu, Y. ; Zhang, S. ; Zhao, S. ; Zhu, Q. ; Cheatham, T. E. ; Roe, D. R. ; Roitberg, A. ; Simmerling, C. ; York, D. M. ; Nagan, M. C. ; Merz, K. M. , AmberTools, Journal of chemical information and modeling 63(20), 6183 - 6191 (2023)
Cutsail, G. ; Schott-Verdugo, S. ; Müller, L. ; DeBeer, S. ; Groth, G. ; Gohlke, H. , Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1, Biophysical journal 121(20), 3862-3873 (2022)
Gopalswamy, M. ; Kroeger, T. ; Bickel, D. ; Frieg, B. ; Akter, S. ; Schott-Verdugo, S. ; Viegas, A. ; Pauly, T. ; Mayer, M. ; Przibilla, J. ; Reiners, J. ; Nagel-Steger, L. ; Smits, S. H. J. ; Groth, G. ; Etzkorn, M. ; Gohlke, H. , Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects, Scientific reports 12(1), 14158 (2022)
Devan, S.-K. ; Schott-Verdugo, S. ; Müntjes, K. ; Bismar, L. ; Reiners, J. ; Hachani, E. ; Schmitt, L. ; Höppner, A. ; Smits, S. H. ; Gohlke, H. ; Feldbrügge, M. , A MademoiseLLE domain binding platform links the key RNA transporter to endosomes, PLoS Genetics 18(6), e1010269 - (2022)
Bleffert, F. ; Granzin, J. ; Caliskan, M. ; Schott-Verdugo, S. N. ; Siebers, M. ; Thiele, B. ; Rahme, L. G. ; Felgner, S. ; Dörmann, P. ; Gohlke, H. ; Batra-Safferling, R. ; Jaeger, K.-E. ; Kovacic, F. , Structural, mechanistic and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa, eLife 11, e72824 (2022)
Kugele, A. ; Uzun, B. ; Müller, L. ; Schott-Verdugo, S. ; Gohlke, H. ; Groth, G. ; Drescher, M. , Mapping the helix arrangement of the reconstituted ETR1 ethylene receptor transmembrane domain by EPR spectroscopy, RSC Advances 12, 7352 - 7356 (2022)
Weiler, A. J. ; Spitz, O. ; Gudzuhn, M. ; Schott-Verdugo, S. ; Kamel, M. ; Thiele, B. ; Streit, W. R. ; Kedrov, A. ; Schmitt, L. ; Gohlke, H. ; Kovacic, F. , A phospholipase B from Pseudomonas aeruginosa with activity towards endogenous phospholipids affects biofilm assembly, Biochimica et biophysica acta / Molecular and cell biology of lipids 1867(4), 159101 - (2022)
Ahmad, S. ; Strunk, C. H. ; Schott-Verdugo, S. ; Jaeger, K.-E. ; Kovacic, F. ; Gohlke, H. , Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity, Journal of chemical information and modeling 61(11), 5626–5643 (2021)
Mulnaes, D. ; Schott-Verdugo, S. ; Koenig, F. ; Gohlke, H. , TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks, Journal of chemical theory and computation 17(11), 7281 - 7289 (2021)
Navarro-Retamal, C. ; Schott-Verdugo, S. ; Gohlke, H. ; Dreyer, I. , Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway, International journal of molecular sciences 22(19), 10345 - (2021)
Moe-Lange, J. ; Gappel, N. M. ; Machado, M. ; Wudick, M. M. ; Sies, C. S. A. ; Schott-Verdugo, S. ; Bonus, M. ; Mishra, S. ; Hartwig, T. ; Bezrutczyk, M. ; Basu, D. ; Farmer, E. E. ; Gohlke, H. ; Malkovskiy, A. ; Haswell, E. S. ; Lercher, M. J. ; Ehrhardt, D. W. ; Frommer, W. B. ; Kleist, T. J., Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling, Science advances 7(37), eabg4298 (2021)
Schott-Verdugo, S., Müller, L., Classen, E., Gohlke, H., & Groth, G. (2019). Structural Model of the ETR1 Ethylene Receptor Transmembrane Sensor Domain. Scientific Reports, 9(1), 1–14.
Khan, I., Gratz, R., Denezhkin, P., Schott-Verdugo, S. N., Angrand, K., Genders, L., Basgaran, R.M., Fink-Straube, C., Brumbarova, T. Gohlke, H., Bauer, P. & Ivanov, R. (2019). Calcium-Promoted Interaction between the C2-Domain Protein EHB1 and Metal Transporter IRT1 Inhibits Arabidopsis Iron Acquisition. Plant Physiology, 180(3), 1564–1581.
Schott-Verdugo, S., & Gohlke, H. (2019). PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building. Journal of Chemical Information and Modeling, 59, 2522–2528.
Dreyer, I., Spitz, O., Kanonenberg, K., Montag, K., Handrich, M. R., Ahmad, S., Schott-Verdugo, S., Navarro-Retamal, C., Rubio-Meléndez, M.E., Gomez-Porras, J.L., Riedelsberger, J., Molina-Montenegro, M.A., Sucurro, A., Zuccaro, A., Gould, S.B., Bauer, P., Schmitt, L. & Gohlke, H. (2019). Nutrient exchange in arbuscular mycorrhizal symbiosis from a thermodynamic point of view. New Phytologist, 222(2), 1043–1053.
Schott, S., Valdebenito, B., Bustos, D., Gomez-Porras, J. L., Sharma, T., & Dreyer, I. (2016). Cooperation through Competition—Dynamics and Microeconomics of a Minimal Nutrient Trade System in Arbuscular Mycorrhizal Symbiosis. Frontiers in Plant Science, 7, 912.
Zarate, X., Schott-Verdugo, S., Rodriguez-Serrano, A., & Schott, E. (2016). The nature of the donor motif in acceptor-bridge-donor dyes as an influence in the electron photo-injection mechanism in DSSCs. The Journal of Physical Chemistry A, 120(9), 1613-1624.