Thierry Langer
Orcid: 0000-0002-5242-1240
According to our database1,
Thierry Langer
authored at least 39 papers
between 1993 and 2025.
Collaborative distances:
Collaborative distances:
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Bibliography
2025
Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning Approaches.
J. Chem. Inf. Model., 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores.
J. Chem. Inf. Model., 2025
Proceedings of the Thirteenth International Conference on Learning Representations, 2025
2024
J. Chem. Inf. Model., 2024
PharmacoMatch: Efficient 3D Pharmacophore Screening through Neural Subgraph Matching.
CoRR, 2024
2023
High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment.
J. Chem. Inf. Model., September, 2023
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL<sup>pro</sup> through Structure-Based Virtual Screening and Experimental Approaches.
J. Chem. Inf. Model., August, 2023
<i>Apo2ph4</i>: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening.
J. Chem. Inf. Model., 2023
2021
J. Cheminformatics, 2021
2019
J. Chem. Inf. Model., 2019
2018
SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site.
J. Chem. Inf. Model., 2018
2017
Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2017
2012
J. Chem. Inf. Model., 2012
2009
Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds.
J. Chem. Inf. Model., 2009
2008
Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening.
J. Chem. Inf. Model., 2008
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?
J. Comput. Aided Mol. Des., 2008
2007
Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models.
J. Chem. Inf. Model., 2007
J. Chem. Inf. Model., 2007
Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches.
J. Chem. Inf. Model., 2007
Generation of a homology model of the human histamine H<sub>3</sub> receptor for ligand docking and pharmacophore-based screening.
J. Comput. Aided Mol. Des., 2007
J. Comput. Aided Mol. Des., 2007
2006
J. Chem. Inf. Model., 2006
Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors.
J. Chem. Inf. Model., 2006
Structure-Based Pharmacophore Design and Virtual Screening for Novel Angiotensin Converting Enzyme 2 Inhibitors.
J. Chem. Inf. Model., 2006
Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations.
J. Chem. Inf. Model., 2006
Influence of the Conditions in Pharmacophore Generation, Scoring, and 3D Database Search for Chemical Feature-Based Pharmacophore Models: One Application Study of ET<sub>A</sub>- and ET<sub>B</sub>-Selective Antagonists.
J. Chem. Inf. Model., 2006
J. Comput. Aided Mol. Des., 2006
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
J. Comput. Aided Mol. Des., 2006
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition.
Bioinform., 2006
2005
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters.
J. Chem. Inf. Model., 2005
Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening.
J. Chem. Inf. Model., 2005
The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling.
J. Chem. Inf. Model., 2005
Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa.
J. Chem. Inf. Model., 2005
Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms.
J. Chem. Inf. Model., 2005
2004
Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening.
J. Chem. Inf. Model., 2004
Combining Ethnopharmacology and Virtual Screening for Lead Structure Discovery: COX-Inhibitors as Application Example.
J. Chem. Inf. Model., 2004
Impact of Scoring Functions on Enrichment in Docking-Based Virtual Screening: An Application Study on Renin Inhibitors.
J. Chem. Inf. Model., 2004
1998
J. Chem. Inf. Comput. Sci., 1998
1993
Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR.
J. Comput. Aided Mol. Des., 1993