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Head of Group
Director of Corporate Program
His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.
Publications
Showing entries 86 - 90 out of 316
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
Activities
Showing entries 1 - 5 out of 207
AI in Drug Discovery and Toxicity Prediction
Gerhard Ecker
ARUA 2025
Conference,
Talk or oral contribution
30.10.2025 - 30.10.2025
In silico MIE Prediction
Gerhard Ecker
RISK-HUNT3R Stakeholder Symposium
Conference,
Talk or oral contribution
18.6.2025 - 18.6.2025
Prediction of Toxicity
Gerhard Ecker
CCC-Trio 2025
Conference,
Talk or oral contribution
12.6.2025 - 12.6.2025
Prediction of Toxicity - let's use Fingerprints
Gerhard Ecker
OpenTox Virtual Conference 2024
Conference,
Talk or oral contribution
29.11.2024 - 29.11.2024
In silica prediction of toxicity - from QSAR models to biological fingerprinting
Gerhard Ecker
AAPR 23 - patterns in one health
Conference,
Talk or oral contribution
25.10.2023 - 25.10.2023