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Thierry Langer

Universität Wien

Austria

Research Interests

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Professors in Austria Professors in Biochemistry Biochemistry professors in Austria

Articles (38)

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Collaborators (35)

Marcus Wieder

Universität Wien

AUSTRIA

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Frédéric A Meunier

AUSTRALIA

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Laura De Luca

University of Messina

ITALY

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Giovanni Grazioso

University of Milan

ITALY

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Gert Lubec

Professor

Paracelsus Medical University

AUSTRIA

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Christian Dank

Senior Lecturer

Universität Wien

AUSTRIA

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Francisco Monje

Assoc. Prof. Priv-Doz. Dr

Medical University of Vienna

AUSTRIA

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Alexander Roller

Universität Wien

AUSTRIA

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Nitchakan Darai

Lecturer

Walailak University

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Nicola Micale

University of Messina

ITALY

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Ya Chen

Universität Wien

AUSTRIA

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Aleksandra Garifulina

Universität Wien

AUSTRIA

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Verena Pichler

Associate Professor

Universität Wien

AUSTRIA

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Markus Muttenthaler

Associate Professor

Universität Wien

AUSTRIA

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Jeremy Harvey

Professor

KU Leuven

BELGIUM

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Anna Geleverya

University of Chemistry and Technology, Prague

CZECH REPUBLIC

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Martin Zehl

Universität Wien

AUSTRIA

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Anita Cybulska-Klosowicz

Nencki Institute of Experimental Biology, Polish Academy of Sciences

POLAND

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Christian Fellinger

Senior Scientist

TU Wien

AUSTRIA

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Matthias Gehringer

Full Professor

Eberhard Karls Universität Tübingen

GERMANY

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Renaud Wagner

Research Engineer - Head of the IMPReSs facility

CNRS Délégation Alsace

FRANCE

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Irena Loryan

Associate Professor, PI, Researcher

Uppsala University

SWEDEN

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Ahmed M. Hussein

Researcher

Universität Wien

AUSTRIA

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Erik Keimpema

Associate Professor

Medical University of Vienna

AUSTRIA

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Luca Piemontese

Associate Professor

University of Bari Aldo Moro

ITALY

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Valentina Stock

University of Innsbruck

AUSTRIA

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Rosaria Gitto

Full professor on Medicinal Chemistry

Università degli Studi di Palermo

ITALY

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Sarah Cianférani

University of Strasbourg

FRANCE

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Laura Ielo

TU Wien

AUSTRIA

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Thomas Seidel

Universität Wien

AUSTRIA

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Andreas Schöller

Universität Wien

AUSTRIA

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Roxane Axel Jacob

Universität Wien

AUSTRIA

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Stefan Boresch

Universität Wien

AUSTRIA

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Dorota Łażewska

Jagiellonian University Medical College

POLAND

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Ernst Urban

Ao.-Univ.-Prof.

Universität Wien

AUSTRIA

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Thierry Langer

Research Interests

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Articles (38)

Rapid HPLC-Based ADME Profiling of Novel Donepezil and Rivastigmine Analogues for Potential Application in Alzheimer’s Disease

Synthesis, in silico and in vitro evaluation of N-phenylbenzimidazole derivatives targeting muscarinic acetylcholine receptors

Biomimetic ADME Profiling of Multifunctional Biphenylalkoxyamine-Related Histamine H3 Receptor Ligands with Anti-Alzheimer Potential

From the Gut to the Brain: Modeling Intestinal Absorption and Assessing Blood–Brain-Barrier Permeability of Small-Molecule Drugs by IAM Chromatography

GRIPHIN: grids of pharmacophore interaction fields for affinity prediction

AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline

Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological Systems: Protein Kinase Case Study

Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning Approaches

Towards the Use of Metabolic Volatiles in Breath for Determining Drug Response: Gstachamine as an Unlabeled Substrate to Measure CYP3A4 Activity

Diisopromine as a non-labelled CYP3A4 substrate: Implications for breath test development

Tolterodine is a novel candidate for assessing CYP3A4 activity through metabolic volatiles to predict drug responses

Fluorescent Peptide Tracers for Simultaneous Oxytocin Receptor Activation and Visualization

Fluoreszenzmarkierte Peptidtracer zur simultanen Aktivierung und Bildgebung des Oxytocinrezeptors

A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS‐CoV‐2 NSP13 Helicase

Targeting SARS-CoV-2 main protease: a pharmacophore and molecular modeling approach

The conserved core nuclear egress complex (NEC) as an antiherpesviral drug target

GRADE and X-GRADE: Unveiling Novel Protein–Ligand Interaction Fingerprints Based on GRAIL Scores

Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23

Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS‐CoV‐2 Mpro for Next‐Generation PROTAC‐Based Therapeutics

Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials

Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network Potential

Process Development and Scale-Up of a Novel Atypical DAT Inhibitor (<i>S</i>)-CE-123

Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential

Computer-aided rational design and synthesis of new potential antihypertensive agents among 1,2,3-triazole-containing nifedipine analogs

Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation

Low-Affinity/High-Selectivity Dopamine Transport Inhibition Sufficient to Rescue Cognitive Functions in the Aging Rat

High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment

Back in Person: Frontiers in Medicinal Chemistry 2023

Biophysical Dissection of Isolated GPCRs: The Adenosine A<sub>2A</sub> Receptor under the Bistouries

Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening

Chirality Matters: Fine-Tuning of Novel Monoamine Reuptake Inhibitors Selectivity through Manipulation of Stereochemistry

Recent advances in computational drug discovery for therapy against coronavirus SARS-CoV-2

Pharmacokinetics of Novel Dopamine Transporter Inhibitor CE-123 and Modafinil with a Focus on Central Nervous System Distribution

Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines

In vitro and in silico studies of holothurin A on androgen receptor in prostate cancer

Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases

Applications of the Novel Quantitative Pharmacophore Activity Relationship Method QPhAR in Virtual Screening and Lead-Optimisation

Successful Drug Discovery, Volume 5. Edited by János Fischer, Christian Klein, and Wayne E. Childers

Collaborators (35)

Marcus Wieder

Frédéric A Meunier

Laura De Luca

Giovanni Grazioso

Gert Lubec

Christian Dank

Francisco Monje

Alexander Roller

Nitchakan Darai

Nicola Micale

Ya Chen

Aleksandra Garifulina

Verena Pichler

Markus Muttenthaler

Jeremy Harvey

Anna Geleverya

Martin Zehl

Anita Cybulska-Klosowicz

Christian Fellinger

Matthias Gehringer

Renaud Wagner

Irena Loryan

Ahmed M. Hussein

Erik Keimpema

Luca Piemontese

Valentina Stock

Rosaria Gitto

Sarah Cianférani

Laura Ielo

Thomas Seidel

Andreas Schöller

Roxane Axel Jacob

Stefan Boresch

Dorota Łażewska

Ernst Urban

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