Publications, Patents, Books and Book Chapters
Showing entries 51 - 60 out of 255
2019
Kickinger, S, Hellsberg, E, Jain, S & Ecker, GF 2019, Linked open data: Ligand-transporter interaction profiling and beyond. in Methods in Pharmacology and Toxicology. Humana Press, Inc., Methods in Pharmacology and Toxicology, pp. 405-417. https://doi.org/10.1007/7653_2018_13
Singh, N, Scalise, M, Galluccio, M, Wieder, M, Seidel, T, Langer, T, Indiveri, C & Ecker, GF 2019, 'Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods', International Journal of Molecular Sciences, vol. 20, no. 1, 27. https://doi.org/10.3390/ijms20010027
2018
Miller, RA, Woollard, P, Willighagen, EL, Digles, D, Kutmon, M, Loizou, A, Waagmeester, A, Senger, S & Evelo, CT 2018, 'Explicit interaction information from WikiPathways in RDF facilitates drug discovery in the Open PHACTS Discovery Platform', F1000Research, vol. 7, 75. https://doi.org/10.12688/F1000RESEARCH.13197.2
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
Showing entries 51 - 60 out of 255