DNA Minor Groove Pharmacophores Describing Sequence Specific Properties. - Gudrun M. Spitzer; Bernd Wellenzohn; Christian Laggner; Thierry Langer; Klaus R. Liedl (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)

Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds. - Gudrun M. Spitzer; Bernd Wellenzohn; Patrick Markt; Johannes Kirchmair; Thierry Langer; Klaus R. Liedl (J. Chem. Inf. Model., 2009)

One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space. - Gudrun M. Spitzer; Mathias Heiss; Martina Mangold; Patrick Markt; Johannes Kirchmair; Gerhard Wolber; Klaus R. Liedl (J. Chem. Inf. Model., 2010)

Qualitative prediction of blood-brain barrier permeability on a large and refined dataset. - Markus Muehlbacher; Gudrun M. Spitzer; Klaus R. Liedl; Johannes Kornhuber (J. Comput. Aided Mol. Des., 2011)

Minor Groove Binders and Drugs Targeting Proteins Cover Complementary Regions in Chemical Shape Space. - Julian E. Fuchs; Gudrun M. Spitzer; Ameera Javed; Adam Biela; Christoph Kreutz; Bernd Wellenzohn; Klaus R. Liedl (J. Chem. Inf. Model., 2011)

Cleavage Entropy as Quantitative Measure of Protease Specificity. - Julian E. Fuchs; Susanne von Grafenstein; Roland G. Huber; Michael A. Margreiter; Gudrun M. Spitzer; Hannes G. Wallnoefer; Klaus R. Liedl (PLoS Comput. Biol., 2013)