Rate My Professor Thierry Langer

Langer's research focuses on computer-aided molecular design, encompassing pharmacophore modeling for parallel in silico screening and drug discovery, software for computer-assisted ligand design, virtual 3D molecular library generation and screening, and 3D-QSAR methods such as CoMFA and CoMSIA. His contributions span medicinal chemistry, cheminformatics, protein-ligand interactions, virtual screening, quantum mechanical methods for ligand binding, neurotoxicity prediction in drug discovery, and personalized medicine via volatile metabolites. He has authored over 237 publications, including recent works such as 'AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline' (Journal of Chemical Information and Modeling, 2026), 'PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching' (ICLR, 2025), 'GRADE and X-GRADE: Unveiling Novel Protein–Ligand Interaction Fingerprints Based on GRAIL Scores' (Journal of Chemical Information and Modeling, 2025), and 'Towards the Use of Metabolic Volatiles in Breath for Determining Drug Response: Gstachamine as an Unlabeled Substrate to Measure CYP3A4 Activity' (ChemMedChem, 2025). Langer's dual academic and industry experience has advanced computational approaches in pharmaceutical development.