Publications, Patents, Books and Book Chapters
Showing entries 141 - 150 out of 266
2013
Stockner, T, Montgomery, TR, Kudlacek, O, Weissensteiner, R, Ecker, GF, Freissmuth, M & Sitte, HH 2013, 'Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model', PLoS Computational Biology, vol. 9, no. 2, e1002909. https://doi.org/10.1371/journal.pcbi.1002909
Tsareva, D & Ecker, G 2013, 'How far could we go with open data - a case study for TRPV1 antagonists', Molecular Informatics, vol. 32, minf.201300019, pp. 555-562.
Schiesaro, A, Richter, L & Ecker, GF 2013, 'How to solve the problems of docking into a symmetric binding site: the example of the HERG channel', Scientia Pharmaceutica, vol. 81, no. 3, pp. 677-82. https://doi.org/10.3797/scipharm.1307-01
2012
Poongavanam, V, Haider, N & Ecker, G 2012, 'Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors', Bioorganic & Medicinal Chemistry, vol. 20, no. 18, pp. 5388-5395. https://doi.org/10.1016/j.bmc.2012.03.045
Di, L, Artursson, P, Avdeef, A, Ecker, G, Faller, B, Fischer, H, Houston, JB, Kansy, M, Kerns, EH, Krämer, SD, Lennernaes, H & Sugano, K 2012, 'Evidence-based approach to assess passive diffusion and carrier-mediated drug transport', Drug Discovery Today, vol. 17, no. 15-16, pp. 905-912. https://doi.org/10.1016/j.drudis.2012.03.015
Zdrazil, B, Blomberg, N & Ecker, G 2012, 'Taking Open Innovation to the Molecular Level - Strengths and Limitations', Molecular Informatics, vol. 31, no. 8, pp. 528-535. https://doi.org/10.1002/minf.201200014
Richter, L, de Graaf, C, Sieghart, W, Varagic, Z, Moerzinger, M, de Esch, IJP, Ecker, GF & Ernst, M 2012, 'Diazepam-bound GABA(A) receptor models identify new benzodiazepine binding-site ligands', Nature Chemical Biology, vol. 8, no. 5, pp. 455-464. https://doi.org/10.1038/NCHEMBIO.917
Jabeen, I, Pleban, K, Rinner, U, Chiba, P & Ecker, GF 2012, 'Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein.', Journal of Medicinal Chemistry, vol. 55, no. 7, pp. 3261-3273. https://doi.org/10.1021/jm201705f
Pinto, M, Trauner, M & Ecker, G 2012, 'An In Silico Classification Model for Putative ABCC2 Substrates.', Molecular Informatics, vol. 31, no. 8, pp. 547-553. https://doi.org/10.1002/minf.201200049
Zdrazil, B, Pinto, M, Poongavanam, V, Williams, AJ, Balderud, LZ, Engkvist, O, Chichester, C, Hersey, A, Overington, JP & Ecker, G 2012, 'Annotating Human P-Glycoprotein Bioassay Data', Molecular Informatics, vol. 31, no. 8, pp. 599-609. https://doi.org/10.1002/minf.201200059
Showing entries 141 - 150 out of 266