Follow me on Twitter
I agree that content from Twitter will be displayed to me.
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 307
Schrempf, A, Bernardo, S, Arasa Verge, EA, Ramirez Otero, MA, Wilson, J, Kirchhofer, D, Timelthaler, G, Ambros, AM, Kaya, A, Wieder, M, Ecker, GF, Winter, GE, Costanzo, V & Loizou, JI 2022, 'POLθ processes ssDNA gaps and promotes replication fork progression in BRCA1-deficient cells', Cell Reports, vol. 41, no. 9, 111716. https://doi.org/10.1016/j.celrep.2022.111716
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 202
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
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