World's Best Scientists 2026 revealed!
Thierry Langer

Thierry Langer

D-Index & Metrics

Chemistry

D-Index
73
Citations
15549
World Ranking
5109
National Ranking
23

Overview

Thierry Langer is affiliated with the University of Vienna in Austria and has a research focus primarily in Materials Science, with significant contributions to related subfields such as Materials Chemistry, Molecular Biology, Computational Theory and Mathematics, Organic Chemistry, and Cellular and Molecular Neuroscience.

Their published work spans various scientific topics including:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Computational Drug Discovery Methods
  • Receptor Mechanisms and Signaling
  • Machine Learning in Materials Science
  • Neuroscience and Neuropharmacology Research
  • Analytical Chemistry and Chromatography

Thierry Langer has contributed to multiple publication venues, with the most frequent being:

  • The Cambridge Structural Database
  • Journal of Chemical Information and Modeling
  • Molecules
  • International Journal of Molecular Sciences
  • SSRN Electronic Journal

Recent papers authored or co-authored by Thierry Langer include:

  • A compact review of molecular property prediction with graph neural networks (2020), Drug Discovery Today Technologies
  • Applications of the Pharmacophore Concept in Natural Product inspired Drug Design (2020), Molecular Informatics
  • Chemoselective Homologation-Deoxygenation Strategy Enabling the Direct Conversion of Carbonyls into (n+1)-Halomethyl-Alkanes (2020), Organic Letters
  • Improving Small Molecule pKa Prediction Using Transfer Learning With Graph Neural Networks (2022), Frontiers in Chemistry
  • A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2 (2020), Molecular Informatics

Co-authorship collaborations highlight frequent work with:

  • Ernst Urban
  • Predrag Kalaba
  • Judith Wackerlig
  • Gert Lübec
  • Jana Lubec

Best Publications

  • LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.

    Gerhard Wolber;Thierry Langer

  • Why drugs fail--a study on side effects in new chemical entities.

    Daniela Schuster;Christian Laggner;Thierry Langer

  • Recognizing Pitfalls in Virtual Screening: A Critical Review

    Thomas Scior;Andreas Bender;Gary Tresadern;José L. Medina-Franco

  • A compact review of molecular property prediction with graph neural networks

    Oliver Wieder;Stefan Kohlbacher;Mélaine Kuenemann;Arthur Garon

  • 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

  • Molecule-pharmacophore superpositioning and pattern matching in computational drug design

    Gerhard Wolber;Thomas Seidel;Fabian Bendix;Thierry Langer

  • Efficient overlay of small organic molecules using 3D pharmacophores.

    Gerhard Wolber;Alois A. Dornhofer;Thierry Langer

  • Recent Advances in Docking and Scoring

    E. M. Krovat;T. Steindl;T. Langer

  • Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products

    Judith M Rollinger;Ariane Hornick;Thierry Langer;Hermann Stuppner

  • Virtual screening for the discovery of bioactive natural products.

    Judith M. Rollinger;Hermann Stuppner;Thierry Langer

  • Virtual screening: an effective tool for lead structure discovery?

    T Langer;R D Hoffmann

  • 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

  • In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens

    Judith M. Rollinger;Daniela Schuster;Birgit Danzl;Stefan Schwaiger

  • The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening.

    Daniela Schuster;Evelyne M Maurer;Christian Laggner;Lyubomir G Nashev

  • Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

    Johannes Kirchmair;Christian Laggner;Gerhard Wolber;Thierry Langer

  • Discovery of high-affinity ligands of σ1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening

    Christian Laggner;Claudia Schieferer;Birgit Fiechtner;Gloria Poles

  • Chemical feature-based pharmacophores and virtual library screening for discovery of new leads.

    Thierry Langer;Eva Maria Krovat

  • Strategies for efficient lead structure discovery from natural products.

    J. M. Rollinger;T. Langer;H. Stuppner

  • Structure–activity relationships and molecular modelling of 5-arylidene-2,4-thiazolidinediones active as aldose reductase inhibitors

    Rosanna Maccari;Rosaria Ottanà;Carmela Curinga;Maria Gabriella Vigorita

  • Parallel screening : A novel concept in pharmacophore modeling and virtual screening

    Theodora M. Steindl;Daniela Schuster;Christian Laggner;Thierry Langer

  • 5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases.

    Rosanna Maccari;Paolo Paoli;Rosaria Ottanà;Michela Jacomelli

  • Non-peptide angiotensin II receptor antagonists: chemical feature based pharmacophore identification.

    Eva M Krovat;Thierry Langer

  • The UV-filter benzophenone-1 inhibits 17β-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals

    Lyubomir G. Nashev;Daniela Schuster;Christian Laggner;Seloni Sodha

  • GBPM: GRID-based pharmacophore model: concept and application studies to protein--protein recognition

    Francesco Ortuso;Thierry Langer;Stefano Alcaro

  • Pharmacophores and Pharmacophore Searches: LANGER: PHARMACOPHORES AND PHARMACOPHORE SEARCHES O-BK

    Thierry Langer;Rémy D. Hoffmann

Frequent Co-Authors

Daniela Schuster
Daniela Schuster Paracelsus Medical University
Gerhard Wolber
Gerhard Wolber Freie Universität Berlin
Hermann Stuppner
Hermann Stuppner University of Innsbruck
Mark D. Smith
Mark D. Smith University of South Carolina
Stephen Cusack
Stephen Cusack European Bioinformatics Institute
Gert Lubec
Gert Lubec Paracelsus Medical University
Harald H. Sitte
Harald H. Sitte Medical University of Vienna
Klaus R. Liedl
Klaus R. Liedl University of Innsbruck
Francesco Ortuso
Francesco Ortuso Magna Graecia University
Stefano Alcaro
Stefano Alcaro Magna Graecia University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

Studying Chemistry in the USA opens up a variety of career opportunities, many of which can be pursued through targeted education paths. For example, earning a paralegal studies associate degree offers an alternative route for those interested in legal aspects of chemical patents and regulatory work.

For those leaning towards the healthcare industry, becoming a pharmacist is a rewarding option. Understanding how long does it take to become a pharmacist is crucial for planning your academic and career timeline effectively.

Chemistry graduates may also find lucrative roles in the pharmaceutical sales sector. Insights on how much do pharmaceutical sales reps make can help set realistic salary expectations and guide professional development.

Additionally, chemistry knowledge is valuable in forensic fields such as autopsy technology. Learning about the educational requirements for an autopsy technician role provides insight into a specialized and impactful career path.

These varied online degrees and career pathways demonstrate the diverse applications of a chemistry education, highlighting flexible options to match individual interests and goals.

Best Scientists Citing Thierry Langer

Trending Scientists

Recently Published Articles