Publications, Patents, Books and Book Chapters
Showing entries 81 - 90 out of 253
2016
Schwarz, T, Montanari, F, Cseke, A, Wlcek, K, Visvader, L, Palme, S, Chiba, P, Kuchler, K, Urban, E & Ecker, G 2016, 'Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP)', ChemMedChem: chemistry enabling drug discovery, vol. 11, no. 12, pp. 1380-1394. https://doi.org/10.1002/cmdc.201500592
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
Showing entries 81 - 90 out of 253