List of publications of Mag. Dr. Barbara Zdrazil


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21 Results
Montanari, F & Zdrazil, B 2017, 'How Open Data Shapes In Silico Transporter Modeling' Molecules: a journal of synthetic organic and natural product chemistry, vol 22, no. 3. DOI: 10.3390/molecules22030422

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Goldmann, D, Zdrazil, B, Digles, D & Ecker, GF 2017, 'Empowering pharmacoinformatics by linked life science data' Journal of Computer-Aided Molecular Design, vol 31, no. 3, pp. 319-328. DOI: 10.1007/s10822-016-9990-4

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Montanari, F, Zdrazil, B, Digles, D & Ecker, GF 2016, 'Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning' Journal of Cheminformatics, vol 8, pp. 7. DOI: 10.1186/s13321-016-0121-y

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Digles, D, Zdrazil, B, Neefs, JM, Van Vlijmen, H, Herhaus, C, Caracoti, A, Brea, J, Roibás, B, Loza, MI, Queralt-Rosinach, N, Furlong, LI, Gaulton, A, Bartek, L, Senger, S, Chichester, C, Engkvist, O, Evelo, CT, Franklin, NI, Marren, D, Ecker, GF & Jacoby, E 2016, 'Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: Knowing the knowns' MedChemComm, vol 7, no. 6, pp. 1237-1244. DOI: 10.1039/c6md00065g

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Zdrazil, B, Hellsberg, E, Viereck, M & Ecker, GF 2016, 'From linked open data to molecular interaction: Studying selectivity trends for ligands of the human serotonin and dopamine transporter' MedChemComm, vol 7, no. 9, pp. 1819-1831. DOI: 10.1039/c6md00207b

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Jurik, A, Zdrazil, B, Holy, M, Stockner, T, Sitte, HH & Ecker, G 2015, 'A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on γ-Aminobutyric Acid Transporter 1 (GAT1)' Journal of Medicinal Chemistry, vol 58, no. 5. DOI: 10.1021/jm5015428

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Ratnam, J, Zdrazil, B, Digles, D, Cuadrado-Rodriguez, E, Neefs, J-M, Tipney, H, Siebes, R, Waagmeester, A, Bradley, G, Chau, CH, Richter, L, Brea, J, Evelo, CT, Jacoby, E, Senger, S, Loza, MI, Ecker, GF & Chichester, C 2014, 'The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research' PLoS ONE, vol 9, no. 12, pp. e115460. DOI: 10.1371/journal.pone.0115460

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Zdrazil, B, Chichester, C, Zander Balderud, L, Engkvist, O, Gaulton, A & Overington, JP 2014, 'Transporter assays and assay ontologies: useful tools for drug discovery' Drug Discovery Today: Technologies, vol 12, pp. e47-54. DOI: 10.1016/j.ddtec.2014.03.005

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Goldmann, D, Montanari, F, Richter, L, Zdrazil, B & Ecker, GF 2014, 'Exploiting open data: a new era in pharmacoinformatics' Future Medicinal Chemistry, vol 6, no. 5, pp. 503-14. DOI: 10.4155/fmc.14.13

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Azzaoui, K, Jacoby, E, Senger, S, Rodríguez, EC, Loza, M, Zdrazil, B, Pinto, M, Williams, AJ, de la Torre, V, Mestres, J, Pastor, M, Taboureau, O, Rarey, M, Chichester, C, Pettifer, S, Blomberg, N, Harland, L, Williams-Jones, B & Ecker, GF 2013, 'Scientific competency questions as the basis for semantically enriched open pharmacological space development' Drug Discovery Today, vol 18, no. 17-18, pp. 843-52. DOI: 10.1016/j.drudis.2013.05.008

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Jurik, A, Reicherstorfer, R, Zdrazil, B & Ecker, GF 2013, 'Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling' Molecular Informatics, vol 32, no. 5-6, pp. 415-419. DOI: 10.1002/minf.201300020

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Seddik, A, Holy, M, Weissensteiner, R, Zdrazil, B, Sitte, HH & Ecker, GF 2013, 'Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling' Molecular Informatics, vol 32, no. 5-6, pp. 409-413. DOI: 10.1002/minf.201300013

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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. DOI: 10.1002/minf.201200014

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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. DOI: 10.1002/minf.201200059

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Zdrazil, B, Schwanke, A, Schmitz, B, Schäfer-Korting, M & Höltje, H-D 2011, 'Molecular modelling studies of new potential human DNA polymerase alpha alpha inhibitors' Journal of Enzyme Inhibition and Medicinal Chemistry, vol 26, no. 2, pp. 270-279. DOI: 10.3109/14756366.2010.503609

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Höltje, M, Richartz, A, Zdrazil, B, Schwanke, A, Dugovic, B, Murruzzu, C, Reissig, H-U, Korting, HC, Kleuser, B, Höltje, H-D & Schäfer-Korting, M 2010, 'Human polymerase alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives' Journal of Enzyme Inhibition and Medicinal Chemistry, vol 25, no. 2, pp. 250-65. DOI: 10.3109/14756360903059579

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Sucic, S, Dallinger, S, Zdrazil, B, Weissensteiner, R, Jorgensen, TN, Holy, M, Kudlacek, O, Seidel, S, Cha, JH, Gether, U, Newman, AH, Ecker, G, Freissmuth, M & Sitte, HH 2010, 'The N terminus of monoamine transporters is a lever required for the action of amphetamines' Journal of Biological Chemistry, vol 285, no. 14, pp. 10924-10938. DOI: 10.1074/jbc.M109.083154

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Höltje, M, Richartz, A, Zdrazil, B, Schwanke, A, Dugovic, B, Murruzzu, C, Reißig, H-U, Korting, HC, Kleuser, B, Höltje, H-D & Schäfer-Korting, M 2010, 'Human Polymerase α Inhibitors for Skin Tumors. Part 2. Modelling, Synthesis and Influence on Normal and Transformed Keratinocytes of New Thymidine and Purine Derivatives' Journal of Enzyme Inhibition and Medicinal Chemistry, vol 25, pp. 250-265.

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Schwanke, A, Murruzzu, C, Zdrazil, B, Zuhse, R, Natek, M, Höltje, M, Korting, HC, Reißig, H-U, Höltje, H-D & Schäfer-Korting, M 2010, 'Antitumor effects of guanosine-analog phosphonates identified by molecular modelling' International Journal of Pharmaceutics, vol 285, pp. 10924-10938.

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Zdrazil, B, Kaiser, D, Kopp, S, Chiba, P & Ecker, GF 2007, 'Similarity-based descriptors (SIBAR) as tool for QSAR studies on P-glycoprotein inhibitors: Influence of the reference set' QSAR & Combinatorial Science, vol 26, no. 5, pp. 669-678. DOI: 10.1002/qsar.200610149

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Kaiser, D, Zdrazil, B & Ecker, G 2005, 'Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information?' Journal of Computer-Aided Molecular Design, vol 19, no. 9-10, pp. 687-692. DOI: 10.1007/s10822-005-9000-8

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