His primary scientific interests are in Pharmacophore, Virtual screening, Drug discovery, Biochemistry and In silico. His Pharmacophore research is multidisciplinary, relying on both Combinatorial chemistry, Nanotechnology, LigandScout and Data mining. His research in Virtual screening intersects with topics in Machine learning and Simulation.
His Drug discovery research integrates issues from Protein Data Bank and Biochemical engineering. Thierry Langer usually deals with Biochemistry and limits it to topics linked to Pharmacology and Biological activity and Acetylcholinesterase. The In silico study combines topics in areas such as Computational biology, Pharmaceutical industry and Data science.
His main research concerns Pharmacophore, Virtual screening, Stereochemistry, Combinatorial chemistry and Computational biology. His biological study spans a wide range of topics, including LigandScout, Docking, In silico, Pharmacology and Drug discovery. His Drug discovery study incorporates themes from Nanotechnology, Pharmaceutical industry, Protein Data Bank and Biochemical engineering.
His Virtual screening research focuses on subjects like Ligand, which are linked to Binding site. His work in Stereochemistry addresses issues such as Active site, which are connected to fields such as Moiety. In his study, Nucleophile is inextricably linked to Electrophile, which falls within the broad field of Combinatorial chemistry.
Thierry Langer focuses on Pharmacophore, Virtual screening, Combinatorial chemistry, Pharmacology and LigandScout. His biological study spans a wide range of topics, including Biological system, In silico, Computational biology and Molecular dynamics. His Computational biology research is multidisciplinary, relying on both Small molecule and Binding site.
G protein-coupled bile acid receptor is closely connected to Natural product in his research, which is encompassed under the umbrella topic of Virtual screening. The Combinatorial chemistry study combines topics in areas such as Reagent, Electrophile, Optically active and Reaction conditions. The study incorporates disciplines such as Receptor, GABAA receptor, Dopamine and Structure–activity relationship in addition to Pharmacology.
His primary areas of investigation include Pharmacophore, Organic chemistry, Virtual screening, LigandScout and Combinatorial chemistry. Thierry Langer connects Pharmacophore with Computer-aided in his research. When carried out as part of a general Organic chemistry research project, his work on Grignard reaction, Chemoselectivity, Imidazole and Reactivity is frequently linked to work in Carbenoid, therefore connecting diverse disciplines of study.
His Virtual screening study which covers Computational biology that intersects with In silico and Small molecule. Thierry Langer works mostly in the field of LigandScout, limiting it down to concerns involving Protein Data Bank and, occasionally, Enzyme, Structure–activity relationship, Binding site and Algorithm. His research integrates issues of Electrophile, Optically active and Nucleophile in his study of Combinatorial chemistry.
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LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.
Gerhard Wolber;Thierry Langer.
Journal of Chemical Information and Modeling (2005)
Why drugs fail--a study on side effects in new chemical entities.
Daniela Schuster;Christian Laggner;Thierry Langer.
Current Pharmaceutical Design (2005)
Recognizing Pitfalls in Virtual Screening: A Critical Review
Thomas Scior;Andreas Bender;Gary Tresadern;José L. Medina-Franco.
Journal of Chemical Information and Modeling (2012)
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;Gerhard Wolber.
Journal of Computer-aided Molecular Design (2008)
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
Gerhard Wolber;Thomas Seidel;Fabian Bendix;Thierry Langer.
Drug Discovery Today (2008)
Efficient overlay of small organic molecules using 3D pharmacophores.
Gerhard Wolber;Alois A. Dornhofer;Thierry Langer.
Journal of Computer-aided Molecular Design (2007)
Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products
Judith M Rollinger;Ariane Hornick;Thierry Langer;Hermann Stuppner.
Journal of Medicinal Chemistry (2004)
Recent Advances in Docking and Scoring
E. M. Krovat;T. Steindl;T. Langer.
Current Computer - Aided Drug Design (2005)
Virtual screening for the discovery of bioactive natural products.
Judith M. Rollinger;Hermann Stuppner;Thierry Langer.
Progress in drug research (2008)
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.
Johannes Kirchmair;Gerhard Wolber;Christian Laggner;Thierry Langer.
Journal of Chemical Information and Modeling (2006)
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