Publications, Patents, Books and Book Chapters
Showing entries 71 - 80 out of 284
2019
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
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. https://doi.org/10.1371/journal.pone.0217377
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. https://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. Humana Press, Inc., Methods in Molecular Biology, vol. 1981, pp. 383-396. https://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. Humana Press, Inc., Methods in Pharmacology and Toxicology, pp. 405-417. https://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. https://doi.org/10.3390/ijms20010027
2018
Miller, RA, Woollard, P, Willighagen, EL, Digles, D, Kutmon, M, Loizou, A, Waagmeester, A, Senger, S & Evelo, CT 2018, 'Explicit interaction information from WikiPathways in RDF facilitates drug discovery in the Open PHACTS Discovery Platform', F1000Research, vol. 7, 75. https://doi.org/10.12688/F1000RESEARCH.13197.2
Jain, S, Grandits, M & Ecker, GF 2018, 'Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein', European Journal of Pharmaceutical Sciences, vol. 122, pp. 134-143. https://doi.org/10.1016/j.ejps.2018.06.022
Schuetz, DA, Seidel, T, Garon, A, Martini, R, Körbel, M, Ecker, GF & Langer, T 2018, 'GRAIL: GRids of phArmacophore Interaction fieLds', Journal of Chemical Theory and Computation, vol. 14, no. 9, pp. 4958–4970. https://doi.org/10.1021/acs.jctc.8b00495
Showing entries 71 - 80 out of 284