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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 1 - 5 out of 312
Li, E, Boujeddaine, N, Houtman, MJC, Maas, Sluijter, , Ecker, G, Weinzinger, A, van Ham, W & van der Heyden, M 2024, 'Development of new Kir2.1 channel openers from propafenone analogues', British Journal of Pharmacology. <https://bpspubs.onlinelibrary.wiley.com/doi/10.1111/bph.17377>
Digles, D, Ingles-Prieto, A, Dvorak, V, Mocking, TAM, Goldmann, U, Garofoli, A, Homan, EJ, Di Silvio, A, Azzollini, L, Sassone, F, Fogazza, M, Bärenz, F, Pommereau, A, Zuschlag, Y, Ooms, JF, Tranberg-Jensen, J, Hansen, JS, Stanka, J, Sijben, HJ, Batoulis, H, Bender, E, Martini, R, IJzerman, AP, Sauer, DB, Heitman, LH, Manolova, V, Reinhardt, J, Ehrmann, A, Leippe, P, Ecker, GF, Huber, KVM, Licher, T, Scarabottolo, L, Wiedmer, T & Superti-Furga, G 2024, 'Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily', Frontiers in Pharmacology, vol. 15, 1401599. https://doi.org/10.3389/fphar.2024.1401599
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics, vol. 43, no. 5, e202300287. https://doi.org/10.1002/minf.202300287
Huang, J, Osthushenrich, T, MacNamara, A, Mälarstig, A, Brocchetti, S, Bradberry, S, Scarabottolo, L, Ferrada, E, Sosnin, S, Digles, D, Superti-Furga, G & Ecker, GF 2024, 'ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction', Rsc advances, vol. 14, no. 19, 00748, pp. 13083-13094. https://doi.org/10.1039/d4ra00748d
Ferrada, E, Wiedmer, T, Wang, WA, Frommelt, F, Steurer, B, Klimek, C, Lindinger, S, Osthushenrich, T, Garofoli, A, Brocchetti, S, Bradberry, S, Huang, J, MacNamara, A, Scarabottolo, L, Ecker, GF, Malarstig, A & Superti-Furga, G 2024, 'Experimental and Computational Analysis of Newly Identified Pathogenic Mutations in the Creatine Transporter SLC6A8', Journal of Molecular Biology, vol. 436, no. 2, 168383. https://doi.org/10.1016/j.jmb.2023.168383
Activities
Showing entries 146 - 150 out of 202
Predicting ligands for P-glycoprotein - safety sciences on the molecular level
Gerhard Ecker
Talk or oral contribution
29.2.2008 - 29.2.2008
Computermodels for predicting P-glycoprotein substrates - can we guide the lead optimisation process?
Gerhard Ecker
Talk or oral contribution
21.2.2008 - 21.2.2008
Linking chemical space to biological space - challenges for high-throughput computing
Gerhard Ecker
Campus Grids and Scientific Applications
Seminar/Workshop,
Talk or oral contribution
31.1.2008 - 31.1.2008
Applying web search algorithms for ADME/Tox profiling of ABCB1 (P-gp) substrates
Rita Schwaha
,
Michael Demel
,
Wilfried Gansterer
,
Gerhard Ecker
,
Andreas Janecek
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008
Atom contribution visualization of PLS-QSAR equations predcting P-glycoprotein inhibitory activity
Christoph Waglechner
,
Gerhard Ecker
XXth International Symposium on Medicinal Chemistry (EFMC-ISMC 2008)
Conference,
Poster presentation
..2008 - ..2008