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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 11 - 15 out of 306
Smajic, A, Grandits, M & Ecker, GF 2022, 'Using Jupyter Notebooks for re-training machine learning models', Journal of Cheminformatics, vol. 14, no. 1, 54. https://doi.org/10.1186/s13321-022-00635-2
Decker, S, Taschauer, A, Geppl, E, Pirhofer, V, Schauer, M, Pöschl, S, Kopp, F, Richter, L, Ecker, GF, Sami, H & Ogris, M 2022, 'Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery', European Journal of Pharmaceutics and Biopharmaceutics, vol. 176, pp. 211-221. https://doi.org/10.1016/j.ejpb.2022.05.004
Füzi, B, Malik-Sheriff, RS, Manners, EJ, Hermjakob, H & Ecker, GF 2022, 'KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study', Journal of Cheminformatics, vol. 14, no. 1, 37. https://doi.org/10.1186/s13321-022-00615-6
Naga, D, Muster, W, Musvasva, E & Ecker, GF 2022, 'Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules', Journal of Cheminformatics, vol. 14, no. 1, 27. https://doi.org/10.1186/s13321-022-00603-w
Activities
Showing entries 1 - 5 out of 201
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
Hypothesis generation for variant effects using a KNIME workflow for automatic mapping of disease-related mutations onto 3D protein structures
Jiahui Huang
,
Claire Colas
,
Gerhard Ecker
ACS Fall 2022
Conference,
Poster presentation
21.8.2022 - 21.8.2022
Wie lassen sich Elternschaft und Wissenschaft vereinbaren?
Veronika Wöhrer
,
Gerhard Ecker
,
Therese Garstenauer
,
Benjamin Herr
,
Alice Leal
Wie lassen sich Elternschaft und Wissenschaft an der Universität Wien vereinbaren?
Panel discussion, round table,
Talk or oral contribution
13.6.2022 - 13.6.2022