Gudrun M. Spitzer

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Johannes Kirchmair, Simona Distinto, Patrick Markt et al. · Journal of Chemical Information and Modeling · 2009 · 195 citations

Pharmacy, Medicinal Chemistry, Drug Design +16

Identification of Novel Functional Inhibitors of Acid Sphingomyelinase

Johannes Kornhuber, Markus Muehlbacher, Stefan Trapp et al. · PLoS ONE · 2011 · 182 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +15

Qualitative prediction of blood–brain barrier permeability on a large and refined dataset

Markus Muehlbacher, Gudrun M. Spitzer, Klaus R. Liedl et al. · Journal of Computer-Aided Molecular Design · 2011 · 158 citations · Full text

Pharmacy, Pharmacokinetics, Pharmacology +16

The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery

Johannes Kirchmair, Patrick Markt, Simona Distinto et al. · Journal of Medicinal Chemistry · 2008 · 103 citations

Life Sciences, Biochemistry, Bioinformatics +12

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

Patrick Markt, Rasmus K. Petersen, Esben N. Flindt et al. · Journal of Medicinal Chemistry · 2008 · 67 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16