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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 307
Granulo, N, Sosnin, S, Digles, D & Ecker, GF 2024, 'The macrocycle inhibitor landscape of SLC‐transporter', Molecular Informatics. https://doi.org/10.1002/minf.202300287
Smajić, A, Grandits, M & Ecker, GF 2023, 'Privacy-preserving techniques for decentralized and secure machine learning in drug discovery', Drug Discovery Today, vol. 28, no. 12, 103820, pp. 1-8. https://doi.org/10.1016/j.drudis.2023.103820
Grillberger, K, Cöllen, E, Trivisani, CI, Blum, J, Leist, M & Ecker, G 2023, 'Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging', International Journal of Molecular Sciences, vol. 24, no. 17, 13170. https://doi.org/10.3390/ijms241713170
Smajić, A, Rami, I, Sosnin, S & Ecker, GF 2023, 'Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets', Chemical Research in Toxicology, vol. 36, no. 8, pp. 1300-1312. https://doi.org/10.1021/acs.chemrestox.3c00042
Dvorak, V, Casiraghi, A, Colas, C, Koren, A, Tomek, T, Offensperger, F, Rukavina, A, Tin, G, Hahn, E, Dobner, S, Frommelt, F, Boeszoermenyi, A, Bernada, V, Hannich, JT, Ecker, GF, Winter, GE, Kubicek, S & Superti-Furga, G 2023, 'Paralog-dependent isogenic cell assay cascade generates highly selective SLC16A3 inhibitors', Cell Chemical Biology, vol. 30, no. 8, pp. 953-964.e9. https://doi.org/10.1016/j.chembiol.2023.06.029
Activities
Showing entries 196 - 200 out of 202
P_VSA descriptors: a proper tool to predict P-glycoprotein inhibitor activity
Wolfgang Holzer
,
Gerhard Ecker
,
Peter Chiba
19. Wissenschaftliche Tagung der Österreichischen Pharmazeutischen Gesellschaft, Innsbruck 2006
Conference,
Poster presentation
..2006 - ..2006
Recent Results in the Alcoholic Aziridine Cleavage
Winfried Neuhaus
,
Silvester Ölzant
,
Urs Peter Fringeli
,
Gerhard Ecker
,
Christian Noe
1st European Chemistry Conference
Conference,
Poster presentation
..2006 - ..2006
Role of transmembrane domain/transmembrane domain interfaces of P-glycoprotein in solute transport
Gerhard Ecker
,
Peter Chiba
,
Sandra Pferschy
,
Stephan Kopp
FEBS Special Meeting ATP-Binding Cassette (ABC) Proteins: From Multidrug Resistance to Genetic Disease
Conference,
Poster presentation
..2006 - ..2006
Shape similarity values as tool for QSAR studies on inhibitors of P-glycoprotein
Gerhard Ecker
,
Elisabet Gregori
,
Peter Chiba
,
Ferran Sanz
,
Jordi Mestres
,
Stephan Kopp
231st American Chemical Society National Meeting
Conference,
Poster presentation
..2006 - ..2006
Similarity calculations on MDR-modulators for establishment of quantitative structure acticity relationships
Gerhard Ecker
,
Ferran Sanz
,
Jordi Mestres
ESMEC - European School of Medicinal Chemistry
Summer/Winter school,
Poster presentation
..2006 - ..2006