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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 221 - 225 out of 312
Ecker, GF, Zdrazil, B & Prakasvudhisarn, C 2007, 'MEDI 175-NCI60 screening data: A versatile tool for in silico models predicting substrate properties for ABC-transporter', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 234.
Zdrazil, B, Kaiser, D, Kopp, S, Chiba, P & Ecker, GF 2007, 'Similarity-based descriptors (SIBAR) as tool for QSAR studies on P-glycoprotein inhibitors: Influence of the reference set', QSAR & Combinatorial Science, vol. 26, no. 5, pp. 669-678. https://doi.org/10.1002/qsar.200610149
Kaiser, D, Terfloth, L, Kopp, S, Schulz, J, De Laet, R, Chiba, P, Ecker, G & Gasteiger, J 2007, 'Self-organizing maps for identification of new inhibitors of P-glycoprotein', Journal of Medicinal Chemistry, vol. 50, no. 7, pp. 1698-1702. https://doi.org/10.1021/jm060604z
Stork, D, Hering, S & Ecker, G 2007, 'A binary QSAR model for classification of hERG potassium channel blockers and SAR study on hERG liability of propafenone derivatives by experimental and docking approaches', Farmacevtski vestnik: strokovno glasilo slovenske farmacije, vol. 58, no. Posebna izdaja, pp. 148-148. <http://www.sfd.si/modules/catalog/products/prodfile/fv_posebnaizdaja_jun2007.pdf>
Ecker, G, Richter, L, Clayton, T, Chen, JL, Cromer, BA, Morton, CJ, Ng, H, Cook, JM, Helmstetter, FJ, Sieghart, W, Ernst, M, Furtmüller, R, Parker, MW & Kaczorowski, CC 2007, 'An updated unified pharmacophore model of the benzodiazepine binding site on gamma-aminobutyric acid receptors: correlation with comparative models', Current Medicinal Chemistry, vol. 14, no. 26, pp. 2755-2775. https://doi.org/10.2174/092986707782360097
Activities
Showing entries 1 - 5 out of 203
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
Predicting chemicals' Molecular Initiating Events (MIEs) based on protein structure
Gerhard Ecker
ASPIS Open Symposium
Conference,
Talk or oral contribution
25.11.2022 - 25.11.2022
Structure-based prediction of molecular initiating events - where are we?
Gerhard Ecker
3rd In silico Toxicology Conference 2022
Conference,
Talk or oral contribution
29.9.2022 - 29.9.2022
Transporter Informatics and Computational Toxicology - from QSAR to Machine Learning and beyond
Gerhard Ecker
Advanced summer School in Drug Research and Development
Summer/Winter school,
Talk or oral contribution
7.9.2022 - 7.9.2022