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Thierry Langer

university of vienna

62H-index
484Paper Count
1.3WCitation Count
Published Papers 150
Publication Date
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Synthesis, in silico and in vitro evaluation of N-phenylbenzimidazole derivatives targeting muscarinic acetylcholine receptors
errBioorganic Chemistry
IF4.7
err2026-05-02
err0
errOAAI
errMarlon Millard; Karolina Dzedulionytė Müldür; Jonas Kilian; Viktoria Mair; Wolfgang Holzer; Marcus Hacker; Thierry Langer; Marius Ozenil; Verena Pichler
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AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-01
err0
errOAAI
errFellinger, Christian; Sappl, Marion; Szabadi, Andras; Merget, Benjamin; Schleifer, Klaus-Juergen; Langer, Thierry
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Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS-CoV-2 Mpro for Next-Generation PROTAC-Based Therapeutics
errArchiv der Pharmazie
IF3.6
err2025-12-13
err0
errOAAI
errEnrico Mario Alessandro Fassi; Nedra Mekni; Marco Albani; Sabine Maehrlein; Annabelle Carolin Weldert; Tanja Schirmeister; Thierry Langer; Giovannf razioso
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Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errTkaczyk, Sara; Langer, Thierry; Wieder, Marcus; Rizzi, Andrea; Boresch, Stefan
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errSave
Metabolic profiling of mAChR ligands: In silico simulation vs LC-HRMS analysis
errNuclear Medicine and Biology
IF3
err2025-11-10
err0
PREAI
errMarkus Spreitzer; Lukas Kogler; IVa Spreitzer; Mykyta Starovoit; Jonas Kilian; Marlon Millard; Judith Wackerlig; Thierry Langer; Verena Pichler
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errSave
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-11-01
err1
PREAI
errPicha, Anna Katharina; Tkaczyk, Sara; Langer, Thierry; Wieder, Marcus; Boresch, Stefan
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Fluorescent Peptide Tracers for Simultaneous Oxytocin Receptor Activation and Visualization
errAngewandte Chemie International Edition
IF0
err2025-09-26
err0
errOAAI
errMonika 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
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A New Fragment-Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS-CoV-2 NSP13 Helicase
errJournal of Computational Chemistry
IF4.8
err2025-09-05
err0
errOAAI
errJordi 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; Edgar Jacoby
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Towards the Use of Metabolic Volatiles in Breath for Determining Drug Response: Gstachamine as an Unlabeled Substrate to Measure CYP3A4 Activity
errChemMedChem
IF3.4
err2025-08-25
err0
errOAAI
errValentina Stock; Rebecca Hofer; Klaus R. Liedl; Jakob Troppmair; Thierry Langer; Hubert Gstach; Christian Dank; Sarah Kammerer; Veronika Ruzsanyi
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errSave
Diisopromine as a non-labelled CYP3A4 substrate: Implications for breath test development
errBioorganic Chemistry
IF4.7
err2025-07-18
err0
errOAAI
errValentina Stock; Rebecca Hofer; Vera A. Spanke; Klaus R. Liedl; Jakob Troppmair; Thierry Langer; Christian Dank; Hubert Gstach; Sarah Kammerer; Veronika Ruzsanyi
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errSave
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-20
err0
errOAAI
errFellinger, Christian; Seidel, Thomas; Merget, Benjamin; Schleifer, Klaus-Juergen; Langer, Thierry
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errSave
Tolterodine is a novel candidate for assessing CYP3A4 activity through metabolic volatiles to predict drug responses
errSCIENTIFIC REPORTS
IF3.9
err2025-01-20
err1
errOAAI
errStock, Valentina; Hofer, Rebecca; Lochmann, Franziska; Spanke, Vera; Liedl, Klaus R.; Troppmair, Jakob; Langer, Thierry; Gstach, Hubert; Dank, Christian; Mayhew, Chris A.; Kammerer, Sarah; Ruzsanyi, Veronika
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Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network Potential
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-25
err5
PREAI
errTkaczyk, Sara; Karwounopoulos, Johannes; Schoeller, Andreas; Woodcock, H. Lee; Langer, Thierry; Boresch, Stefan; Wieder, Marcus
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errSave
Process Development and Scale-Up of a Novel Atypical DAT Inhibitor (S)-CE-123
errACS OMEGA
IF4.3
err2024-03-04
err0
errOAAI
errGonzalez, Eduardo R. Perez; Reck, Bernhard; Kalaba, Predrag; Langer, Thierry; Leban, Johann; Lubec, Gert
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errSave
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-03
err2
errOAAI
errChen, Ya; Seidel, Thomas; Jacob, Roxane Axel; Hirte, Steffen; Mazzolari, Angelica; Pedretti, Alessandro; Vistoli, Giulio; Langer, Thierry; Miljkovic, Filip; Kirchmair, Johannes
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errSave
A combination of structure-based virtual screening and experimental strategies to identify the potency of caffeic acid ester derivatives as SARS-CoV-2 3CLpro inhibitor from an in-house database
errBIOPHYSICAL CHEMISTRY
IF2.2
err2024-01-01
err2
errOAAI
errPojtanadithee, Piyatida; Isswanich, Kulpornsorn; Buaban, Koonchira; Chamni, Supakarn; Wilasluck, Patcharin; Deetanya, Peerapon; Wangkanont, Kittikhun; Langer, Thierry; Wolschann, Peter; Sanachai, Kamonpan; Rungrotmongkol, Thanyada
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Design, synthesis, and lead optimization of piperazinyl-pyrimidine analogues as potent small molecules targeting the viral capping machinery of Chikungunya virus
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2024-01-01
err1
errOAAI
errBattisti, Verena; Moesslacher, Julia; Abdelnabi, Rana; Leyssen, Pieter; Rosas, Ana Lucia Rosales; Langendries, Lana; Aufy, Mohammed; Studenik, Christian; Kratz, Jadel M.; Rollinger, Judith M.; Puerstinger, Gerhard; Neyts, Johan; Delang, Leen; Urban, Ernst; Langer, Thierry
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Design, synthesis and preclinical evaluation of muscarine receptor antagonists via a scaffold-hopping approach
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2023-12-01
err2
errOAAI
errMillard, Marlon; Kilian, Jonas; Ozenil, Marius; Mogeritsch, Mariella; Schwingenschloegl-Maisetschlaeger, Verena; Holzer, Wolfgang; Hacker, Marcus; Langer, Thierry; Pichler, Verena
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errSave
High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-25
err11
errOAAI
errSeidel, Thomas; Permann, Christian; Wieder, Oliver; Kohlbacher, Stefan M.; Langer, Thierry
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Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-15
err4
PREAI
errPojtanadithee, Piyatida; Hengphasatporn, Kowit; Suroengrit, Aphinya; Boonyasuppayakorn, Siwaporn; Wilasluck, Patcharin; Deetanya, Peerapon; Wangkanont, Kittikhun; Sukanadi, I. Putu; Chavasiri, Warinthorn; Wolschann, Peter; Langer, Thierry; Shigeta, Yasuteru; Maitarad, Phornphimon; Sanachai, Kamonpan; Rungrotmongkol, Thanyada
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Research Directions

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Co-authors
Cooperation Journals
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Karsten Kristiansen
H-index: 114 · Papers: 706
M
M. Hamon
H-index: 100 · Papers: 828
J
Johan Neyts
H-index: 100 · Papers: 1.1K
E
Eric J. Snijder
H-index: 99 · Papers: 335
P
Phil Skolnick
H-index: 83 · Papers: 529
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