Identification of novel functional inhibitors of acid sphingomyelinase von Kornhuber, Johannes, Muehlbacher, Markus, Trapp, Stefan, Pechmann, Stefanie, Friedl, Astrid, Reichel, Martin, Mühle, Christiane, Terfloth, Lothar, Groemer, Teja W, Spitzer, Gudrun M, Liedl, Klaus R, Gulbins, Erich, Tripal, Philipp

Volltext

Qualitative prediction of blood–brain barrier permeability on a large and refined dataset von Muehlbacher, Markus, Spitzer, Gudrun M., Liedl, Klaus R., Kornhuber, Johannes

Volltext

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information von Kirchmair, Johannes, Distinto, Simona, Markt, Patrick, Schuster, Daniela, Spitzer, Gudrun M, Liedl, Klaus R, Wolber, Gerhard

Volltext

Cleavage entropy as quantitative measure of protease specificity von Fuchs, Julian E, von Grafenstein, Susanne, Huber, Roland G, Margreiter, Michael A, Spitzer, Gudrun M, Wallnoefer, Hannes G, Liedl, Klaus R

Volltext

Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation von Fuchs, Julian E, Huber, Roland G, von Grafenstein, Susanne, Wallnoefer, Hannes G, Spitzer, Gudrun M, Fuchs, Dietmar, Liedl, Klaus R

Volltext

The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery von Kirchmair, Johannes, Markt, Patrick, Distinto, Simona, Schuster, Daniela, Spitzer, Gudrun M, Liedl, Klaus R, Langer, Thierry, Wolber, Gerhard

Volltext

One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space von Spitzer, Gudrun M, Heiss, Mathias, Mangold, Martina, Markt, Patrick, Kirchmair, Johannes, Wolber, Gerhard, Liedl, Klaus R

Volltext

Minor Groove Binders and Drugs Targeting Proteins Cover Complementary Regions in Chemical Shape Space von Fuchs, Julian E, Spitzer, Gudrun M, Javed, Ameera, Biela, Adam, Kreutz, Christoph, Wellenzohn, Bernd, Liedl, Klaus R

Volltext

DNA Minor Groove Pharmacophores Describing Sequence Specific Properties von Spitzer, Gudrun M, Wellenzohn, Bernd, Laggner, Christian, Langer, Thierry, Liedl, Klaus R

Volltext

Hydrogen-Bonding Patterns of Minor Groove-Binder−DNA Complexes Reveal Criteria for Discovery of New Scaffolds von Spitzer, Gudrun M, Wellenzohn, Bernd, Markt, Patrick, Kirchmair, Johannes, Langer, Thierry, Liedl, Klaus R

Volltext

Sequence‐Specific Positions of Water Molecules at the Interface between DNA and Minor Groove Binders von Spitzer, Gudrun M., Fuchs, Julian E., Markt, Patrick, Kirchmair, Johannes, Wellenzohn, Bernd, Langer, Thierry, Liedl, Klaus R.

Volltext

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening von Markt, Patrick, Petersen, Rasmus K, Flindt, Esben N, Kristiansen, Karsten, Kirchmair, Johannes, Spitzer, Gudrun, Distinto, Simona, Schuster, Daniela, Wolber, Gerhard, Laggner, Christian, Langer, Thierry

Volltext

Discovery of Novel CB2 Receptor Ligands by a Pharmacophore-Based Virtual Screening Workflow von Markt, Patrick, Feldmann, Clemens, Rollinger, Judith Maria, Raduner, Stefan, Schuster, Daniela, Kirchmair, Johannes, Distinto, Simona, Spitzer, Gudrun Maria, Wolber, Gerhard, Laggner, Christian, Altmann, Karl-Heinz, Langer, Thierry, Gertsch, Jürg

Volltext

Cleavage Entropy as Quantitative Measure of Protease Specificity: e1003007 von Fuchs, Julian E, Grafenstein, Susanne von, Huber, Roland G, Margreiter, Michael A, Spitzer, Gudrun M, Wallnoefer, Hannes G, Liedl, Klaus R

Volltext

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening von Markt, Patrick, McGoohan, Caroline, Walker, Brian, Kirchmair, Johannes, Feldmann, Clemens, Martino, Gabriella De, Spitzer, Gudrun, Distinto, Simona, Schuster, Daniela, Wolber, Gerhard, Laggner, Christian, Langer, Thierry

Volltext

Discovery of Novel CB 2 Receptor Ligands by a Pharmacophore-Based Virtual Screening Workflow von Markt, Patrick, Feldmann, Clemens, Rollinger, Judith Maria, Raduner, Stefan, Schuster, Daniela, Kirchmair, Johannes, Distinto, Simona, Spitzer, Gudrun Maria, Wolber, Gerhard, Laggner, Christian, Altmann, Karl-Heinz, Langer, Thierry, Gertsch, Jürg

Volltext

Sequence-Specific Positions of Water Molecules at the Interface between DNA and Minor Groove Binders: Water at Molecular Interfaces von SPITZER, Gudrun M, FUCHS, Julian E, MARKT, Patrick, KIRCHMAIR, Johannes, WELLENZOHN, Bernd, LANGER, Thierry, LIEDL, Klaus R

Volltext

ChemInform Abstract: The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for in silico Guided Drug Discovery von Kirchmair, Johannes, Markt, Patrick, Distinto, Simona, Schuster, Daniela, Spitzer, Gudrun M., Liedl, Klaus R., Langer, Thierry, Wolber, Gerhard

Volltext

DNA Minor Groove Pharmacophores Describing Sequence Specific Properties von Spitzer, Gudrun M., Wellenzohn, Bernd, Laggner, Christian, Langer, Thierry, Liedl, Klaus R.

Volltext

Dynamic Regulation of Phenylalanine Hydroxylase by Simulated Redox Manipulation von Fuchs, Julian E, Huber, Roland G, von Grafenstein, Susanne, Wallnoefer, Hannes G, Spitzer, Gudrun M, Fuchs, Dietmar, Liedl, Klaus R

Volltext