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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 71 - 75 out of 312
Kotsampasakou, E, Montanari, F & Ecker, GF 2017, 'Predicting drug-induced liver injury: The importance of data curation', Toxicology, vol. 389, pp. 139-145. https://doi.org/10.1016/j.tox.2017.06.003
Spork, M, Sohail, MI, Schmid, D, Ecker, GF, Freissmuth, M, Chiba, P & Stockner, T 2017, 'Folding correction of ABC-transporter ABCB1 by pharmacological chaperones: a mechanistic concept', Pharmacology Research & Perspectives, vol. 5, no. 3, e00325, pp. e00325. https://doi.org/10.1002/prp2.325
Schuetz, DA, de Witte, WEA, Wong, YC, Knasmueller, B, Richter, L, Kokh, DB, Sadiq, SK, Bosma, R, Nederpelt, I, Heitman, LH, Segala, E, Amaral, M, Guo, D, Andres, D, Georgi, V, Stoddart, LA, Hill, S, Cooke, RM, De Graaf, C, Leurs, R, Frech, M, Wade, RC, de Lange, ECM, IJzerman, AP, Müller-Fahrnow, A & Ecker, GF 2017, 'Kinetics for Drug Discovery: an industry-driven effort to target drug residence time', Drug Discovery Today, vol. 22, no. 6, pp. 896-911. https://doi.org/10.1016/j.drudis.2017.02.002
Jain, S, Grandits, M, Richter, L & Ecker, GF 2017, 'Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP', Journal of Computer-Aided Molecular Design, vol. 31, no. 6, pp. 507-521. https://doi.org/10.1007/s10822-017-0021-x
Seddik, A, Geerke, DP, Stockner, T, Holy, M, Kudlacek, O, Cozzi, NV, Ruoho, AE, Sitte, HH & Ecker, GF 2017, 'Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter', Molecular Informatics, vol. 36, no. 5-6, 1600094. https://doi.org/10.1002/minf.201600094
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