Univ.-Prof. Mag. Dr. Gerhard Ecker

T: +43-1-4277-55110
M: +43-664-60277-55110
gerhard.f.ecker@univie.ac.at

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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!

Publications

Showing entries 25 - 30 out of 274

Jorgensen, L, Al-Khawaja, A, Kickinger, S, Vogensen, SB, Skovgaard-Petersen, J, Rosenthal, E, Borkar, N, Loffler, R, Madsen, KK, Brauner-Osbome, H, Schousboe, A, Ecker, GF, Wellendorph, P & Causen, RP 2017, 'Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1)', Journal of Medicinal Chemistry, vol. 60, no. 21, pp. 8834-8846. doi.org/10.1021/acs.jmedchem.7b00924


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. doi.org/10.1016/j.drudis.2017.02.002


Activities

Showing entries 25 - 30 out of 98

Open PHACTS - the use of open data for in silico models

Gerhard Ecker
20th EuroQSAR, Conference, Talk or oral contribution
4.9.2014 - 4.9.2014

Exploiting integrated open data in drug discovery

Gerhard Ecker
Drug Discovery Summit - Drug Design and Medicinal Chemistry, Conference, Talk or oral contribution
9.5.2014 - 9.5.2014

It's all about integration - From docking poses to structure-based classification and prediction of side effects

Gerhard Ecker
Chemical Computing Group UGM & Conference 2014 - Europe, Conference, Talk or oral contribution
25.4.2014 - 25.4.2014

Open PHACTS - Building an open pharmacological space

Gerhard Ecker
Spring Meeting of the Swiss Society of Pharmacology and Toxicology, Conference, Talk or oral contribution
3.4.2014 - 3.4.2014

Experimental data guided docking for elucidating the molecular basis of drug-transporter interaction

Gerhard Ecker
Talk or oral contribution
18.12.2013 - 18.12.2013