Publications, Patents, Books and Book Chapters
2019
Eichsteininger, J, Kirisits, K, Smöch, C, Stadlbauer, C, Nguyen, CH, Jäger, W, Özmen, A, Ecker, G, Krupitza, G & Krenn, L 2019, 'Structural insight into the in vitro anti-intravasative properties of flavonoids', Scientia Pharmaceutica, vol. 87, no. 3, 23. doi.org/10.3390/scipharm87030023
Hall, C, Wolfe, H, Wells, A, Chien, H-C, Colas, C, Schlessinger, A, Giacomini, KM & Thomas, AA 2019, 'l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan', Bioorganic & Medicinal Chemistry Letters, vol. 29, no. 16, pp. 2254-2258. doi.org/10.1016/j.bmcl.2019.06.033
Hemmerich, J, Gurinova, J & Digles, D 2019, 'Accessing public compound databases with KNIME', Current Medicinal Chemistry. doi.org/10.2174/0929867326666190801152317
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
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
Jain, S & Ecker, GF 2019, In silico approaches to predict drug-transporter interaction profiles: Data mining, model generation, and link to cholestasis. in Methods in Molecular Biology. Methods in Molecular Biology, vol. 1981, Humana Press, Inc., pp. 383-396. doi.org/10.1007/978-1-4939-9420-5_26
Kickinger, S, Hellsberg, E, Jain, S & Ecker, GF 2019, Linked open data: Ligand-transporter interaction profiling and beyond. in Methods in Pharmacology and Toxicology. Methods in Pharmacology and Toxicology, Humana Press, Inc., 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