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head of group
His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.
Kickinger, S, Hellsberg, E, Jain, S & Ecker, GF 2019, Linked open data: Ligand-transporter interaction profiling and beyond. in Methods in Pharmacology and Toxicology. Humana Press, Inc., Methods in Pharmacology and Toxicology, pp. 405-417. doi.org/10.1007/7653_2018_13
Singh, N, Scalise, M, Galluccio, M, Wieder, M, Seidel, T, Langer, T, Indiveri, C & Ecker, GF 2019, 'Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods', International Journal of Molecular Sciences, vol. 20, no. 1, 27. doi.org/10.3390/ijms20010027
Gomez-Tamayo, JC, Troger, F, Pastor, M, Norinder, U, Zdrazil, B & Ecker, G 2018, 'Ligand based and structural based modeling for the understanding, classification and prediction ofmitochondrial toxicity', Toxicology Letters, vol. 295, no. Suppl. 1, pp. S96-S96. doi.org/10.1016/j.toxlet.2018.06.596
Jain, S, Grandits, M & Ecker, GF 2018, 'Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein', European Journal of Pharmaceutical Sciences, vol. 122, pp. 134-143. doi.org/10.1016/j.ejps.2018.06.022
Siebert, DCB, Wieder, M, Schlener, L, Scholze, P, Boresch, S, Langer, T, Schnürch, M, Mihovilovic, MD, Richter, L, Ernst, M & Ecker, G 2018, 'SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site', Journal of Chemical Information and Modeling, vol. 58, no. 8, pp. 1682-1696. doi.org/10.1021/acs.jcim.8b00199