Univ.-Prof. Mag. Dr. Gerhard Ecker

T: +43-1-4277-55110
M: +43-664-60277-55110

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head of group

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.

Contact hours for students: Monday 13:00, send an e-mail to arrange an appointment at least three days in advance!


Showing entries 5 - 10 out of 274

Schuetz, DA, Bernetti, M, Bertazzo, M, Musil, D, Eggenweiler, HM, Recanatini, M, Masetti, M, Ecker, GF & Cavalli, A 2019, 'Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics', Journal of Chemical Information and Modeling, vol. 59, no. 1, pp. 535-549. doi.org/10.1021/acs.jcim.8b00614

Jain, S & Ecker, GF 2019, In silico approaches to predict drug-transporter interaction profiles: Data mining, model generation, and link to cholestasis. in Methods in Molecular Biology. Methods in Molecular Biology, vol. 1981, Humana Press, Inc., pp. 383-396. doi.org/10.1007/978-1-4939-9420-5_26

Kickinger, S, Hellsberg, E, Jain, S & Ecker, GF 2019, Linked open data: Ligand-transporter interaction profiling and beyond. in Methods in Pharmacology and Toxicology. Methods in Pharmacology and Toxicology, Humana Press, Inc., pp. 405-417. doi.org/10.1007/7653_2018_13


Showing entries 5 - 10 out of 98

Predicting ligand residence time - it's all about how long you stay

Gerhard Ecker
European School of Medicinal Chemistry, Summer/Winter school, Talk or oral contribution
4.7.2018 - 4.7.2018

Leveraging integrated life science data – the power of workflows

Gerhard Ecker
255th ACS National Meeting and Exhibition, Conference, Talk or oral contribution
19.3.2018 - 19.3.2018

In silico Toxicology - from prediction of transporter interaction profiles to toxicological read across and beyond

Gerhard Ecker
Frontiers in Medicinal Chemistry, Conference, Talk or oral contribution
13.3.2018 - 13.3.2018

Linking open data - from transporter interaction profiles to toxicity prediction

Gerhard Ecker
In Silico IVIVE, Seminar/Workshop, Talk or oral contribution
20.9.2017 - 20.9.2017

Predicting drug residence time - its all about how long you stay

Gerhard Ecker
Vienna Summer School on Drug Design 2017, Summer/Winter school, Talk or oral contribution
18.9.2017 - 18.9.2017