Publications, Patents, Books and Book Chapters
Showing entries 61 - 70 out of 262
2018
Jain, S, Grandits, M & Ecker, GF 2018, 'Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein', European Journal of Pharmaceutical Sciences, vol. 122, pp. 134-143. https://doi.org/10.1016/j.ejps.2018.06.022
Schuetz, DA, Seidel, T, Garon, A, Martini, R, Körbel, M, Ecker, GF & Langer, T 2018, 'GRAIL: GRids of phArmacophore Interaction fieLds', Journal of Chemical Theory and Computation, vol. 14, no. 9, pp. 4958–4970. https://doi.org/10.1021/acs.jctc.8b00495
Siebert, DCB, Wieder, M, Schlener, L, Scholze, P, Boresch, S, Langer, T, Schnürch, M, Mihovilovic, MD, Richter, L, Ernst, M & Ecker, G 2018, 'SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site', Journal of Chemical Information and Modeling, vol. 58, no. 8, pp. 1682-1696. https://doi.org/10.1021/acs.jcim.8b00199
Digles, D, Dangl, A, Senger, S & Ecker, G 2018, 'Open PHACTS – Semantische Datenintegration für die pharmazeutische Forschung: Open PHACTS – Semantic data integration for pharmaceutical research ', Pharmakon, vol. 6, no. 4, pp. 268-275. https://doi.org/10.1691/pn.20180026
Schuetz, DA, Richter, L, Amaral, M, Grandits, M, Graedler, U, Musil, D, Buchstaller, H-P, Eggenweiler, H-M, Frech, M & Ecker, GF 2018, 'Ligand Desolvation steers on-rate and impacts Drug Residence Time of Heat shock protein 90 (Hsp90) Inhibitors', Journal of Medicinal Chemistry, vol. 61, no. 10, pp. 4397–4411. https://doi.org/10.1021/acs.jmedchem.8b00080
Digles, D, Caracoti, A & Jacoby, E 2018, Accessing the Open PHACTS Discovery Platform with Workflow Tools. in B Wagner (ed.), Phenotypic Screening: Methods and Protocols. Springer, New York, Methods in Molecular Biology, vol. 1787, pp. 183-193. https://doi.org/10.1007/978-1-4939-7847-2_14
Estrada-Tejedor, R & Ecker, GF 2018, 'Predicting drug resistance related to ABC transporters using unsupervised Consensus Self-Organizing Maps', Scientific Reports, vol. 8, no. 1, 6803. https://doi.org/10.1038/s41598-018-25235-9
Jain, S, Kotsampasakou, E & Ecker, GF 2018, 'Comparing the performance of meta-classifiers-a case study on selected imbalanced data sets relevant for prediction of liver toxicity', Journal of Computer-Aided Molecular Design, vol. 32, no. 5, pp. 583-590. https://doi.org/10.1007/s10822-018-0116-z
Singh, N & Ecker, GF 2018, 'Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1', International Journal of Molecular Sciences, vol. 19, no. 5, 1278. https://doi.org/10.3390/ijms19051278
Ishoey, M, Chorn, S, Singh, N, Jaeger, MG, Brand, M, Paulk, J, Bauer, S, Erb, MA, Parapatics, K, Müller, AC, Bennett, KL, Ecker, GF, Bradner, JE & Winter, GE 2018, 'Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders', ACS Chemical Biology, vol. 13, no. 3, pp. 553-560. https://doi.org/10.1021/acschembio.7b00969
Showing entries 61 - 70 out of 262