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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.
Van der Stel, W, Carta, G, Eakins, J, Delp, J, Suciu, I, Forsby, A, Cediel-Ulloa, A, Attoff, K, Troger, F, Kamp, H, Gardner, I, Zdrazil, B, Moné, MJ, Ecker, GF, Pastor, M, Gómez-Tamayo, JC, White, A, Danen, EHJ, Leist, M, Walker, P, Jennings, P, Hougaard Bennekou, S & Van de Water, B 2021, 'New approach methods supporting read-across: Two neurotoxicity AOP-based IATA case studies', Altex. doi.org/10.14573/altex.2103051
Niello, M, Cintulová, D, Raithmayr, P, Holy, M, Jäntsch, K, Colas, C, Ecker, GF, Sitte, HH & Mihovilovic, MD 2021, 'Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro', Frontiers in Pharmacology, vol. 12, 654061. doi.org/10.3389/fphar.2021.654061
Hemmerich, J, Asilar, E & Ecker, GF 2020, 'COVER: conformational oversampling as data augmentation for molecules', Journal of Cheminformatics, vol. 12, 18. doi.org/10.1186/s13321-020-00420-z
Cosco, J, Scalise, M, Colas, C, Galluccio, M, Martini, R, Rovella, F, Mazza, T, Ecker, GF & Indiveri, C 2020, 'ATP modulates SLC7A5 (LAT1) synergistically with cholesterol', Scientific Reports, vol. 10, no. 1, pp. 16738. doi.org/10.1038/s41598-020-73757-y
Kickinger, S, Al-Khawaja, A, Haugaard, AS, Lie, MEK, Bavo, F, Loeffler, R, Damgaard, M, Ecker, GF, Frolund, B & Wellendorph, P 2020, 'Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors', Scientific Reports, vol. 10, no. 1, 12992. doi.org/10.1038/s41598-020-69908-w