Publications, Patents, Books and Book Chapters
Showing entries 31 - 40 out of 248
2020
Asilar, E, Hemmerich, J & Ecker, GF 2020, 'Image Based Liver Toxicity Prediction', Journal of Chemical Information and Modeling, vol. 60, no. 3, pp. 1111-1121. https://doi.org/10.1021/acs.jcim.9b00713
Hemmerich, J, Asilar, E & Ecker, GF 2020, 'COVER: conformational oversampling as data augmentation for molecules', Journal of Cheminformatics, vol. 12, 18. https://doi.org/10.1186/s13321-020-00420-z
Cseke, A, Schwarz, T, Jain, S, Decker, S, Vogl, K, Urban, E & Ecker, G 2020, 'Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein', Archiv der Pharmazie, vol. 353, no. 3, 1900269. https://doi.org/10.1002/ardp.201900269
Montanari, F, Knasmüller, B, Kohlbacher, S, Hillisch, C, Baierová, C, Grandits, M & Ecker, GF 2020, 'Vienna LiverTox Workspace-A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies', Frontiers in Chemistry, vol. 7, 899. https://doi.org/10.3389/fchem.2019.00899
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. https://doi.org/10.1039/d0md00178c
Hemmerich, J, Gurinova, J & Digles, D 2020, 'Accessing public compound databases with KNIME', Current Medicinal Chemistry, vol. 27, no. 38, pp. 6444-6457. https://doi.org/10.2174/0929867326666190801152317
2019
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, vol. 161, 107615. https://doi.org/10.1016/j.neuropharm.2019.04.021
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, vol. 161, 107644. https://doi.org/10.1016/j.neuropharm.2019.05.021
Singh, N, Villoutreix, BO & Ecker, GF 2019, 'Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)', Scientific Reports, vol. 9, no. 1, 15061. https://doi.org/10.1038/s41598-019-51455-8
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. https://doi.org/10.3390/scipharm87030023
Showing entries 31 - 40 out of 248