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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 266 - 270 out of 314
Pleban, K, Macchiarulo, A, Costantino, G, Pellicciari, R, Chiba, P & Ecker, G 2004, 'Homology model of the multidrug transporter LmrA from Lactococcus lactis', Bioorganic & Medicinal Chemistry Letters, vol. 14, no. 23, pp. 5823-5826. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-6944243452&partner@&rel=R5.0.4>
Noe, C & Ecker, G 2004, 'In silico prediction models for blood-brain barrier permeation', Current Medicinal Chemistry, vol. 11, no. 12, pp. 1617-1628. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-1042275637&partner@&rel=R5.0.4>
Chiba, P & Ecker, G 2004, 'Inhibitors of ABC-type drug efflux pumps: An overview of the current patent situation', Expert Opinion on Therapeutic Patents: authoritative analysis of patenting trends, vol. 14, no. 4, pp. 499-508. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-1842854619&partner@&rel=R5.0.4>
Macchiarulo, A, Costantino, G, Meniconi, M, Pleban, K, Ecker, G, Bellocchi, D & Pellicciari, R 2004, 'Insights into phenylalanine derivatives recognition of VLA-4 integrin: From a pharmacophoric study to 3D-QSAR and molecular docking analyses', Journal of Chemical Information and Computer Sciences, vol. 44, no. 5, pp. 1829-1839. <http://www.scopus.com/scopus/inward/record.url?eid=2-s2.0-5444253973&partner@&rel=R5.0.4>
Pleban, K, Hoffer, C, Kopp, S, Peer, M, Chiba, P & Ecker, G 2004, 'Intramolecular distribution of hydrophobicity influences pharmacological activity of propafenone-type MDR modulators', Archiv der Pharmazie, vol. 337, no. 6, pp. 328-334. https://doi.org/10.1002/ardp.200300862
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