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Journal of Computer-Aided Molecular Design|January 16, 2008
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?Johannes Kirchmair, Patrick Markt, Simona Distinto, et al.Journal of Computer-Aided Molecular Design|October 26, 2007
Pharmacophore modeling and parallel screening for PPAR ligandsPatrick Markt, Daniela Schuster, Johannes Kirchmair, et al.Journal of Chemical Information and Modeling|October 13, 2007
Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approachesJohannes Kirchmair, Stojanka Ristic, Kathrin Eder, et al.Bioorganic & Medicinal Chemistry|July 27, 2010
Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding modeMatthias Goebel, Gerhard Wolber, Patrick Markt, et al.Journal of Chemical Information and Modeling|March 12, 2009
Hydrogen-bonding patterns of minor groove-binder-DNA complexes reveal criteria for discovery of new scaffoldsGudrun M Spitzer, Bernd Wellenzohn, Patrick Markt, et al.Journal of Chemical Information and Modeling|October 6, 2009
Critical comparison of virtual screening methods against the MUV data setPekka Tiikkainen, Patrick Markt, Gerhard Wolber, et al.Journal of Chemical Information and Modeling|June 30, 2010
One concept, three implementations of 3D pharmacophore-based virtual screening: distinct coverage of chemical search spaceGudrun M Spitzer, Mathias Heiss, Martina Mangold, et al.Journal of Chemical Information and Modeling|May 13, 2009
How to optimize shape-based virtual screening: choosing the right query and including chemical informationJohannes Kirchmair, Simona Distinto, Patrick Markt, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 26, 2008
Sequence-specific positions of water molecules at the interface between DNA and minor groove bindersGudrun M Spitzer, Julian E Fuchs, Patrick Markt, et al.Molecular Informatics|July 28, 2016
Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in EthnopharmacologyDaniela Schuster, Birgit Waltenberger, Johannes Kirchmair, et al.Pageof 3