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Drug Discovery Today|January 15, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug designGerhard Wolber, Thomas Seidel, Fabian Bendix, et al.Journal of Chemical Information and Modeling|January 26, 2005
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filtersGerhard Wolber, Thierry LangerJournal of Computer-Aided Molecular Design|October 20, 2006
Efficient overlay of small organic molecules using 3D pharmacophoresGerhard Wolber, Alois A Dornhofer, Thierry LangerJournal of Chemical Information and Modeling|July 25, 2006
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformationsJohannes Kirchmair, Gerhard Wolber, Christian Laggner, et al.Journal of Chemical Information and Modeling|April 6, 2005
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithmsJohannes Kirchmair, Christian Laggner, Gerhard Wolber, et al.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.Molecules (Basel, Switzerland)|December 10, 2021
Greedy 3-Point Search (G3PS)-A Novel Algorithm for Pharmacophore AlignmentChristian Permann, Thomas Seidel, Thierry LangerJournal of Cheminformatics|May 13, 2026
GRIPHIN: grids of pharmacophore interaction fields for affinity predictionDaniel Rose, Thomas Seidel, Thierry LangerFrontiers in Chemistry|July 5, 2018
Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGAGiulio Poli, Thomas Seidel, Thierry LangerJournal of Computer-Aided Molecular Design|September 30, 2006
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screeningTheodora M Steindl, Daniela Schuster, Gerhard Wolber, et al.Pageof 45