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Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?

J. Kirchmair, P. Markt, S. Distinto, G. Wolber, and T. Langer. J. Comput. Aided Mol. Des., 22 (3-4): 213-228 (2008)

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Thierry Somville

Thierry Allain

Thierry Djenizian

Aurélien Thierry

Thierry Carrel

Other publications of authors with the same name

Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR.T. Langer, and C. Wermuth. J. Comput. Aided Mol. Des., 7 (3): 253-262 (1993)Pharmacophore modeling and parallel screening for PPAR ligands.P. Markt, D. Schuster, J. Kirchmair, C. Laggner, and T. Langer. J. Comput. Aided Mol. Des., 21 (10-11): 575-590 (2007)Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening.J. Heider, J. Kilian, A. Garifulina, S. Hering, T. Langer, and T. Seidel. J. Chem. Inf. Model., 63 (1): 101-110 (2023)Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models.T. Steindl, D. Schuster, C. Laggner, K. Chuang, R. Hoffmann, and T. Langer. Journal of Chemical Information and Modeling, 47 (2): 563-571 (2007)Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations.J. Kirchmair, G. Wolber, C. Laggner, and T. Langer. Journal of Chemical Information and Modeling, 46 (4): 1848-1861 (2006)The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling.D. Schuster, and T. Langer. Journal of Chemical Information and Modeling, 45 (2): 431-439 (2005)On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR.T. Langer, and R. Hoffmann. Journal of Chemical Information and Computer Sciences, 38 (2): 325-330 (1998)Combining Ethnopharmacology and Virtual Screening for Lead Structure Discovery: COX-Inhibitors as Application Example.J. Rollinger, S. Haupt, H. Stuppner, and T. Langer. Journal of Chemical Information and Modeling, 44 (2): 480-488 (2004)High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.T. Steindl, D. Schuster, G. Wolber, C. Laggner, and T. Langer. J. Comput. Aided Mol. Des., 20 (12): 703-715 (2006)Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening.B. Schlegel, C. Laggner, R. Meier, T. Langer, D. Schnell, R. Seifert, H. Stark, H. Höltje, and W. Sippl. J. Comput. Aided Mol. Des., 21 (8): 437-453 (2007)

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Disambiguation of "Langer, Thierry"