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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.
Contact hours for students: Monday 13:00, UZA2, 2E405 (please send an e-mail to arrange an appointment at least three days in advance!)
Hellsberg, E, Ecker, G, Weinzinger, A & Forrest, LR 2019, 'A structural model of the human serotonin transporter in an outward-occluded state', PLoS ONE, vol. 14, no. 6, e0217377. doi.org/10.1371/journal.pone.0217377
Kickinger, S, Hellsberg, E, Frølund, B, Schousboe, A, Ecker, GF & Wellendorph, P 2019, 'Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function', Neuropharmacology. doi.org/10.1016/j.neuropharm.2019.05.021
Niello, M, Cintulova, D, Hellsberg, E, Jäntsch, K, Holy, M, Ayatollahi, LH, Cozzi, NV, Freissmuth, M, Sandtner, W, Ecker, GF, Mihovilovic, MD & Sitte, HH 2019, 'para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter', Neuropharmacology. doi.org/10.1016/j.neuropharm.2019.04.021
Viktoria, G, Colas, C & Ecker, GF 2019, 'Structural Determinants of the hASBT-Ligands Interactions', Biophysical Journal, vol. 116, no. 3, pp. 552A-552A. doi.org/10.1016/j.bpj.2018.11.2971
Schuetz, DA, Bernetti, M, Bertazzo, M, Musil, D, Eggenweiler, HM, Recanatini, M, Masetti, M, Ecker, GF & Cavalli, A 2019, 'Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics', Journal of Chemical Information and Modeling, vol. 59, no. 1, pp. 535-549. doi.org/10.1021/acs.jcim.8b00614