Publications, Patents, Books and Book Chapters
Showing entries 91 - 100 out of 262
2016
Montanari, F, Zdrazil, B, Digles, D & Ecker, GF 2016, 'Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning', Journal of Cheminformatics, vol. 8, no. 1, 7, pp. 7. https://doi.org/10.1186/s13321-016-0121-y
Montanari, F, Pinto, M, Khunweeraphong, N, Wlcek, K, Sohail, MI, Noeske, T, Boyer, S, Chiba, P, Stieger, B, Kuchler, K & Ecker, GF 2016, 'Flagging Drugs That Inhibit the Bile Salt Export Pump', Molecular Pharmaceutics, vol. 13, no. 1, pp. 163-171. https://doi.org/10.1021/acs.molpharmaceut.5b00594
Sandtner, W, Stockner, T, Hasenhuetl, PS, Partilla, JS, Seddik, A, Zhang, Y-W, Cao, J, Holy, M, Steinkellner, T, Rudnick, G, Baumann, MH, Ecker, GF, Newman, AH & Sitte, HH 2016, 'Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters', Molecular Pharmacology, vol. 89, no. 1, pp. 165-175. https://doi.org/10.1124/mol.115.101394
Jurik, A, Seddik, A & Ecker, GF 2016, 'Experimental data guided docking of small molecules into homology models of neurotransmitter transporters', Neuromethods, vol. 118, pp. 83-89. https://doi.org/10.1007/978-1-4939-3765-3_5
Zdrazil, B, Hellsberg, E, Viereck, M & Ecker, GF 2016, 'From linked open data to molecular interaction: Studying selectivity trends for ligands of the human serotonin and dopamine transporter', MedChemComm, vol. 7, no. 9, pp. 1819-1831. https://doi.org/10.1039/c6md00207b
Digles, D, Zdrazil, B, Neefs, JM, Van Vlijmen, H, Herhaus, C, Caracoti, A, Brea, J, Roibás, B, Loza, MI, Queralt-Rosinach, N, Furlong, LI, Gaulton, A, Bartek, L, Senger, S, Chichester, C, Engkvist, O, Evelo, CT, Franklin, NI, Marren, D, Ecker, GF & Jacoby, E 2016, 'Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: Knowing the knowns', MedChemComm, vol. 7, no. 6, pp. 1237-1244. https://doi.org/10.1039/c6md00065g
2015
Kotsampasakou, E, Jäger, W & Ecker, GF 2015, 'Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification Models', Molecular Pharmaceutics, vol. 12, no. 12, pp. 4395-4404. https://doi.org/10.1021/acs.molpharmaceut.5b00583
Venkatesan, S, Saha, K, Sohail, A, Sandtner, W, Freissmuth, M, Ecker, GF, Sitte, HH & Stockner, T 2015, 'Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site', PLoS Computational Biology, vol. 11, no. 10, e1004551, pp. e1004551. https://doi.org/10.1371/journal.pcbi.1004551
Damgaard, M, Al-Khawaja, A, Vogensen, SB, Jurik, A, Sijm, M, Lie, MEK, Bæk, MI, Rosenthal, E, Jensen, AA, Ecker, GF, Frølund, B, Wellendorph, P & Clausen, RP 2015, 'Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3', ACS Chemical Neuroscience, vol. 6, no. 9, pp. 1591-1599. https://doi.org/10.1021/acschemneuro.5b00150
Blaschke, M, McKinnon, R, Nguyen, CH, Holzner, S, Zehl, M, Atanasov, AG, Schelch, K, Krieger, S, Diaz, R, Frisch, R, Feistel, B, Jäger, W, Ecker, GF, Dirsch, VM, Grusch, M, Zupko, I, Urban, E, Kopp, B & Krupitza, G 2015, 'A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro', Mutation Research: fundamental and molecular mechanisms of mutagenesis, vol. 777, pp. 79-90. https://doi.org/10.1016/j.mrfmmm.2015.04.011
Showing entries 91 - 100 out of 262