Martens, M, Ammar, A, Riutta, A, Waagmeester, A, Slenter, DN, Hanspers, K, Miller, R, Digles, D, Lopes, E, Ehrhart, F, Dupuis, L, Winckers, L, Coort, SL, Willighagen, EL, Evelo, CT, Pico, AR & Kutmon, M 2021, 'WikiPathways: Connecting Communities', Nucleic Acids Research, vol. 49, no. D1, pp. D613–D621. doi.org/10.1093/nar/gkaa1024

Hemmerich, J, Asilar, E & Ecker, GF 2020, 'COVER: conformational oversampling as data augmentation for molecules', Journal of Cheminformatics. doi.org/10.1186/s13321-020-00420-z

Colas, C & Laine, E 2020, 'Targeting Solute Carrier Transporters through Functional Mapping', Trends in Pharmacological Sciences. doi.org/10.1016/j.tips.2020.11.005

Schuetz, DA, Richter, L, Martini, R & Ecker, GF 2020, 'A structure-kinetic relationship study using matched molecular pair analysis', RSC Medicinal Chemistry, vol. 11, no. 11, pp. 1285-1294. doi.org/10.1039/d0md00178c

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

Hemmerich, J & Ecker, GF 2020, 'In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways', Wiley Interdisciplinary Reviews. Computational Molecular Science. doi.org/10.1002/wcms.1475

Troger, F, Delp, J, Funke, M, van der Stel, W, Colas, C, Leist, M, van de Water, B & Ecker, GF 2020, 'Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway', Computational Toxicology, vol. 14, pp. 100123. doi.org/10.1016/j.comtox.2020.100123

Hemmerich, J, Troger, F, Fuezi, B & Ecker, GF 2020, 'Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity', Molecular Informatics, vol. 39, no. 5, 2000005. doi.org/10.1002/minf.202000005

Colas, C, Banci, G, Martini, R & Ecker, G 2020, 'Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models', Scientific Reports, vol. 10, no. 1, 6241. doi.org/10.1038/s41598-020-63189-z