Thierry Langer

Full Professor, Department of Pharmaceutical Sciences, Universität Vienna

Joined

September 2024

Names

Thierry Langer (Preferred)

Emails

****@univie.ac.at (Confirmed)

Personal Links

Career & Education History

Full Professor

Department of Pharmaceutical Sciences, Universität Vienna (univie.ac.at)

2013 – Present

Advisors, Relations & Conflicts

No relations added

Expertise

Computer assisted drug discovery

1992 – 2026

Publications

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, Thierry Langer, Edgar Jacoby, Jeremy N. Harvey
- Journal of Chemical Information and Modeling
- Readers: Everyone
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23
Sara Tkaczyk, Thierry Langer, Marcus Wieder, Andrea Rizzi, Stefan Boresch
- Journal of Chemical Theory and Computation
- Readers: Everyone
Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS‐CoV‐2 Mpro for Next‐Generation PROTAC‐Based Therapeutics
Enrico Mario Alessandro Fassi, Nedra Mekni, Marco Albani, Sabine Maehrlein, Annabelle Carolin Weldert, Tanja Schirmeister, Thierry Langer, Giovannf razioso
- Archiv der Pharmazie
- Readers: Everyone
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials
Anna Katharina Picha, Sara Tkaczyk, Thierry Langer, Marcus Wieder, Stefan Boresch
- The Journal of Physical Chemistry Letters
- Readers: Everyone
Fluorescent Peptide Tracers for Simultaneous Oxytocin Receptor Activation and Visualization
Monika Perisic Böhm, Predrag Kalaba, Rachel S. Gormal, Maja Zupančič, Alexandra Wolf, Mia Juračić, Thomas Kremsmayr, Frédéric A. Meunier, Thierry Langer, Christian W. Gruber, Erik Keimpema, Markus Muttenthaler
- Angewandte Chemie International Edition
- Readers: Everyone
Fluoreszenzmarkierte Peptidtracer zur simultanen Aktivierung und Bildgebung des Oxytocinrezeptors
Monika Perisic Böhm, Predrag Kalaba, Rachel S. Gormal, Maja Zupančič, Alexandra Wolf, Mia Juračić, Thomas Kremsmayr, Frédéric A. Meunier, Thierry Langer, Christian W. Gruber, Erik Keimpema, Markus Muttenthaler
- Angewandte Chemie
- Readers: Everyone
The conserved core nuclear egress complex (NEC) as an antiherpesviral drug target
Julia Tillmanns, Verena Battisti, Jintawee Kicuntod, Friedrich Hahn, Debora Obergfäll, Pia Geiger, Sabrina Wagner, Helmut Buschmann, Bernhard Lesch, Peter Lischka, Heinrich Sticht, Thierry Langer, Manfred Marschall
- Antiviral Research
- Readers: Everyone
A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS‐CoV‐2 NSP13 Helicase
Jordi Doijen, Jiexiong Xie, Simone Marsili, Trpta Bains, Mandeep Kaur Mann, Pravien Abeywickrema, Nick Van den Broeck, Christian Permann, Thierry Langer, Gökhan Ibis, Charles‐Alexandre Mattelaer, Jeremy Harvey, Sebastiaan van Raalte, Roberto Fino, Vineet Pande, Danielle Peeters, Aaron Patrick, Ellen Van Damme, Herman van Vlijmen, Marnix Van Loock et al. (1 additional authors not shown)
- Journal of Computational Chemistry
- Readers: Everyone
Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning Approaches
Lisa Lombardo, Verena Battisti, Thierry Langer, Rosaria Gitto, Laura De Luca
- Journal of Chemical Information and Modeling
- Readers: Everyone
Towards the Use of Metabolic Volatiles in Breath for Determining Drug Response: Gstachamine as an Unlabeled Substrate to Measure CYP3A4 Activity
Valentina Stock, Rebecca Hofer, Klaus R. Liedl, Jakob Troppmair, Thierry Langer, Hubert Gstach, Christian Dank, Sarah Kammerer, Veronika Ruzsanyi
- ChemMedChem
- Readers: Everyone

View all 233 publications

Co-Authors

View all 755 co-authors