Thierry Langer

40PUBLICATIONS
106CO-AUTHORS
Biologically active moleculesBiomolecular modelling and designAutomated software engineeringTheoretical quantum chemistryMolecular targets
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Publications (40)

|Oct 26, 2026
Biomimetic ADME Profiling of Multifunctional Biphenylalkoxyamine-Related Histamine H3 Receptor Ligands with Anti-Alzheimer Potential.

|Oct 24, 2026
Rapid HPLC-Based ADME Profiling of Novel Donepezil and Rivastigmine Analogues for Potential Application in Alzheimer's Disease.

|Jul 10, 2026
From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood-Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography.

|May 13, 2026
GRIPHIN: grids of pharmacophore interaction fields for affinity prediction.

|Mar 23, 2026
AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline.

Christian Fellinger, Marion Sappl, András Szabadi

|Jan 13, 2026
Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological Systems: Protein Kinase Case Study.

Charles-Alexandre Mattelaer, Roberto Fino, Christian Permann

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Frequent Collaborators

10 joint publications

Thomas Seidel

5 joint publications

Gert Lubec

4 joint publications

Stefan Boresch

4 joint publications

Martin Zehl