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Dive into the research topics where Thierry Langer is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
- 2 Finished
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PREDICT: Towards Personalised Medicine: use of volatile metabolites
Langer, T. (Project Lead)
1/03/22 → 28/02/25
Project: Research funding
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Neurotoxicity De-Risking in Preclinical Drug Discovery
Langer, T. (Project Lead)
1/03/19 → 31/08/22
Project: Research funding
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A New Fragment-Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS-CoV-2 NSP13 Helicase
Doijen, J., Xie, J., Marsili, S., Bains, T., Mann, M. K., Abeywickrema, P., Van den Broeck, N., Permann, C., Langer, T., Ibis, G., Mattelaer, C.-A., Harvey, J., van Raalte, S., Fino, R., Pande, V., Peeters, D., Patrick, A., Van Damme, E., van Vlijmen, H. & Van Loock, M. & 1 others, , 5 Sept 2025, In: Journal of Computational Chemistry. 46, 23, e70201.Publications: Contribution to journal › Article › Peer Reviewed
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Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials
Picha, A. K., Tkaczyk, S., Langer, T., Wieder, M. (Corresponding author) & Boresch, S. (Corresponding author), 2025, In: Journal of Physical Chemistry Letters. 16, p. 12080-12086 7 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Diisopromine as a non-labelled CYP3A4 substrate: Implications for breath test development
Stock, V., Hofer, R., Spanke, V. A., Liedl, K. R., Troppmair, J., Langer, T., Dank, C., Gstach, H., Kammerer, S. & Ruzsanyi, V. (Corresponding author), Aug 2025, In: Bioorganic Chemistry. 163, 108772.Publications: Contribution to journal › Article › Peer Reviewed
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GRADE-ing Protein-Ligand Interactions
Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)
19 Jun 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Binding affinity estimation using GRADE
Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)
23 Mar 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Binding Affinity Estimation using X-GRADE
Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Bergner, A. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)
Sept 2024Activity: Talks and presentations › Poster presentation › Science to Science