Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA

Autor Poli, Giulio, Seidel, Thomas, Langer, Thierry
Vydáno v Front Chem (2018)

Antivirals against the Chikungunya Virus

Autor Battisti, Verena, Urban, Ernst, Langer, Thierry
Vydáno v Viruses (2021)

Virtual screening for the discovery of bioactive natural products

Autor Rollinger, Judith M., Stuppner, Hermann, Langer, Thierry
Vydáno v Natural Compounds as Drugs Volume I (2008)

Applications of the Pharmacophore Concept in Natural Product inspired Drug Design

Autor Seidel, Thomas, Wieder, Oliver, Garon, Arthur, Langer, Thierry
Vydáno v Mol Inform (2020)

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

Autor Wieder, Marcus, Perricone, Ugo, Seidel, Thomas, Boresch, Stefan, Langer, Thierry
Vydáno v Monatsh Chem (2016)

Pharmacy Practice and Education in Austria

Autor Langer, Thierry, Spreitzer, Helmut, Ditfurth, Teresa, Stemer, Gunar, Atkinson, Jeffrey
Vydáno v Pharmacy (Basel) (2018)

Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitors

Autor Schuster, Daniela, Zederbauer, Martina, Langer, Thierry, Kubin, Andreas, Furtmüller, Paul G.
Vydáno v J Enzyme Inhib Med Chem (2018)

Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors

Autor Mekni, Nedra, Coronnello, Claudia, Langer, Thierry, Rosa, Maria De, Perricone, Ugo
Vydáno v Int J Mol Sci (2021)

Telescoped, Divergent, Chemoselective C1 and C1‐C1 Homologation of Imine Surrogates: Access to Quaternary Chloro‐ and Halomethyl‐Trifluoromethyl Aziridines

Autor Ielo, Laura, Touqeer, Saad, Roller, Alexander, Langer, Thierry, Holzer, Wolfgang, Pace, Vittorio
Vydáno v Angew Chem Int Ed Engl (2019)

Sustainable Asymmetric Organolithium Chemistry: Enantio‐ and Chemoselective Acylations through Recycling of Solvent, Sparteine, and Weinreb “Amine”

Autor Monticelli, Serena, Holzer, Wolfgang, Langer, Thierry, Roller, Alexander, Olofsson, Berit, Pace, Vittorio
Vydáno v ChemSusChem (2019)

A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS‐CoV‐2

Autor Battisti, Verena, Wieder, Oliver, Garon, Arthur, Seidel, Thomas, Urban, Ernst, Langer, Thierry
Vydáno v Mol Inform (2020)

In Silico Identification of Potential Druggable Binding Sites on CIN85 SH3 Domain

Autor Vittorio, Serena, Seidel, Thomas, Garon, Arthur, Gitto, Rosaria, Langer, Thierry, De Luca, Laura
Vydáno v Int J Mol Sci (2021)

Taspine: Bioactivity-Guided Isolation and Molecular Ligand–Target Insight of a Potent Acetylcholinesterase Inhibitor from Magnolia x soulangiana

Autor Rollinger, Judith M., Schuster, Daniela, Baier, Elisabeth, Ellmerer, Ernst P., Langer, Thierry, Stuppner, Hermann
Vydáno 2006

Molecular Docking and 3D-Pharmacophore Modeling to Study the Interactions of Chalcone Derivatives with Estrogen Receptor Alpha

Autor Muchtaridi, Muchtaridi, Syahidah, Hasna Nur, Subarnas, Anas, Yusuf, Muhammad, Bryant, Sharon D., Langer, Thierry
Vydáno v Pharmaceuticals (Basel) (2017)

Update on PET Tracer Development for Muscarinic Acetylcholine Receptors

Autor Ozenil, Marius, Aronow, Jonas, Millard, Marlon, Langer, Thierry, Wadsak, Wolfgang, Hacker, Marcus, Pichler, Verena
Vydáno v Pharmaceuticals (Basel) (2021)

Accessing biological actions of Ganoderma secondary metabolites by in silico profiling

Autor Grienke, Ulrike, Kaserer, Teresa, Pfluger, Florian, Mair, Christina E., Langer, Thierry, Schuster, Daniela, Rollinger, Judith M.
Vydáno v Phytochemistry (2014)

Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecul...

Autor Muchtaridi, Muchtaridi, Yusuf, Muhammad, Syahidah, Hasna Nur, Subarnas, Anas, Zamri, Adel, Bryant, Sharon D, Langer, Thierry
Vydáno v Adv Appl Bioinform Chem (2019)

Identification of 2-(4-(Phenylsulfonyl)piperazine-1-yl)pyrimidine Analogues as Novel Inhibitors of Chikungunya Virus

Autor Moesslacher, Julia, Battisti, Verena, Delang, Leen, Neyts, Johan, Abdelnabi, Rana, Pürstinger, Gerhard, Urban, Ernst, Langer, Thierry
Vydáno v ACS Med Chem Lett (2020)

Chemoselective Homologation–Deoxygenation Strategy Enabling the Direct Conversion of Carbonyls into (n+1)-Halomethyl-Alkanes

Autor Miele, Margherita, Citarella, Andrea, Langer, Thierry, Urban, Ernst, Zehl, Martin, Holzer, Wolfgang, Ielo, Laura, Pace, Vittorio
Vydáno v Org Lett (2020)

In Silico Workflow for the Discovery of Natural Products Activating the G Protein-Coupled Bile Acid Receptor 1

Autor Kirchweger, Benjamin, Kratz, Jadel M., Ladurner, Angela, Grienke, Ulrike, Langer, Thierry, Dirsch, Verena M., Rollinger, Judith M.
Vydáno v Front Chem (2018)