The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling. - Daniela Schuster 001; Thierry Langer (J. Chem. Inf. Model., 2005)

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. - Theodora M. Steindl; Daniela Schuster 001; Gerhard Wolber; Christian Laggner; Thierry Langer (J. Comput. Aided Mol. Des., 2006)

Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors. - Daniela Schuster 001; Christian Laggner; Theodora M. Steindl; Anja Palusczak; Rolf W. Hartmann; Thierry Langer (J. Chem. Inf. Model., 2006)

Parallel Screening: A Novel Concept in Pharmacophore Modeling and Virtual Screening. - Theodora M. Steindl; Daniela Schuster 001; Christian Laggner; Thierry Langer (J. Chem. Inf. Model., 2006)

Pharmacophore modeling and parallel screening for PPAR ligands. - Patrick Markt; Daniela Schuster 001; Johannes Kirchmair; Christian Laggner; Thierry Langer (J. Comput. Aided Mol. Des., 2007)

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models. - Theodora M. Steindl; Daniela Schuster 001; Christian Laggner; Karen Chuang; Rémy D. Hoffmann; Thierry Langer (J. Chem. Inf. Model., 2007)

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening. - Patrick Markt; Caroline McGoohan; Brian Walker; Johannes Kirchmair; Clemens Feldmann; Gabriella De Martino; Gudrun M. Spitzer; Simona Distinto; Daniela Schuster 001; Gerhard Wolber; Christian Laggner; Thierry Langer (J. Chem. Inf. Model., 2008)

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information. - Johannes Kirchmair; Simona Distinto; Patrick Markt; Daniela Schuster 001; Gudrun M. Spitzer; Klaus R. Liedl; Gerhard Wolber (J. Chem. Inf. Model., 2009)

Identification of Novel Liver X Receptor Activators by Structure-Based Modeling. - Susanne von Grafenstein; Judit Mihaly-Bison; Gerhard Wolber; Valery N. Bochkov; Klaus R. Liedl; Daniela Schuster 001 (J. Chem. Inf. Model., 2012)

Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools. - Jadel M. Kratz; Daniela Schuster 001; Michael Edtbauer; Priyanka Saxena; Christina E. Mair; Julia Kirchebner; Barbara Matuszczak; Igor Baburin; Steffen Hering; Judith M. Rollinger (J. Chem. Inf. Model., 2014)

Pharmacophore Modeling, Virtual Screening, and in Vitro Testing Reveal Haloperidol, Eprazinone, and Fenbutrazate as Neurokinin Receptors Ligands. - Yvonne Krautscheid; Carl Johann Åke Senning; Simone B. Sartori; Nicolas Singewald; Daniela Schuster 001; Hermann Stuppner (J. Chem. Inf. Model., 2014)

Discovery of New Liver X Receptor Agonists by Pharmacophore Modeling and Shape-Based Virtual Screening. - Veronika Temml; Constance V. Voss; Verena M. Dirsch; Daniela Schuster 001 (J. Chem. Inf. Model., 2014)

Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands. - Teresa Kaserer; Riccardo Rigo; Philipp Schuster; Stefano Alcaro; Claudia Sissi; Daniela Schuster 001 (J. Chem. Inf. Model., 2016)

Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening. - Birgit Waltenberger; Ulrike Garscha; Veronika Temml; Josephine Liers; Oliver Werz; Daniela Schuster 001; Hermann Stuppner (J. Chem. Inf. Model., 2016)

Fingerprints and Pharmacophores. - Daniela Schuster 001 (Encyclopedia of Bioinformatics and Computational Biology (2), 2019)

Forms and Norms of Indecision in Argumentation Theory. - Daniela Schuster 001 (DEON, 2021)

On Floating Conclusions. - Daniela Schuster 001; Jan M. Broersen; Henry Prakken (DEON, 2023)

Combination of In Silico and In Vitro Screening to Identify Novel Glutamate Carboxypeptidase II Inhibitors. - Veronika Temml; Jakub Kollár; Theresa Schönleitner; Anna Höll; Daniela Schuster 001; Zsófia Kutil (J. Chem. Inf. Model., 2023)

Identification of Novel β-Tubulin Inhibitors Using a Combined In Silico/In Vitro Approach. - Mark James Horgan; Lukas Zell; Bianka Siewert; Hermann Stuppner; Daniela Schuster 001; Veronika Temml (J. Chem. Inf. Model., 2023)

Abstaining Machine Learning - Philosophical Considerations. - Daniela Schuster 001 (CoRR, 2024)