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Thierry Langer

Showing results (51-60 of 195) with videos related to

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Journal of Chemical Information and Modeling|February 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL ScoresChristian Fellinger, Thomas Seidel, Benjamin Merget, et al.
Journal of Medicinal Chemistry|September 30, 2005
Pharmacophore modeling, docking, and principal component analysis based clustering: combined computer-assisted approaches to identify new inhibitors of the human rhinovirus coat proteinTheodora M Steindl, Carolyn E Crump, Frederick G Hayden, et al.
The Journal of Physical Chemistry Letters|November 11, 2025
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network PotentialsAnna Katharina Picha, Sara Tkaczyk, Thierry Langer, et al.
Journal of Chemical Information and Modeling|September 1, 2025
Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning ApproachesLisa Lombardo, Verena Battisti, Thierry Langer, et al.
Journal of Medicinal Chemistry|November 30, 2004
Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural productsJudith M Rollinger, Ariane Hornick, Thierry Langer, et al.
International Journal of Molecular Sciences|July 24, 2021
Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease InhibitorsNedra Mekni, Claudia Coronnello, Thierry Langer, et al.
Organic Letters|May 25, 2016
Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to FormamidesVittorio Pace, Karen de la Vega-Hernández, Ernst Urban, et al.
Journal of Computer-Aided Molecular Design|September 30, 2006
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screeningTheodora M Steindl, Daniela Schuster, Gerhard Wolber, et al.
Journal of Enzyme Inhibition and Medicinal Chemistry|October 5, 2018
Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitorsDaniela Schuster, Martina Zederbauer, Thierry Langer, et al.
Angewandte Chemie (International Ed. in English)|December 15, 2018
Telescoped, Divergent, Chemoselective C1 and C1-C1 Homologation of Imine Surrogates: Access to Quaternary Chloro- and Halomethyl-Trifluoromethyl AziridinesLaura Ielo, Saad Touqeer, Alexander Roller, et al.
Pageof 20

Showing results (51-60 of 195) with videos related to

Sort By:
Pageof 20
Journal of Chemical Information and Modeling|February 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL ScoresChristian Fellinger, Thomas Seidel, Benjamin Merget, et al.
Journal of Medicinal Chemistry|September 30, 2005
Pharmacophore modeling, docking, and principal component analysis based clustering: combined computer-assisted approaches to identify new inhibitors of the human rhinovirus coat proteinTheodora M Steindl, Carolyn E Crump, Frederick G Hayden, et al.
The Journal of Physical Chemistry Letters|November 11, 2025
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network PotentialsAnna Katharina Picha, Sara Tkaczyk, Thierry Langer, et al.
Journal of Chemical Information and Modeling|September 1, 2025
Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning ApproachesLisa Lombardo, Verena Battisti, Thierry Langer, et al.
Journal of Medicinal Chemistry|November 30, 2004
Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural productsJudith M Rollinger, Ariane Hornick, Thierry Langer, et al.
International Journal of Molecular Sciences|July 24, 2021
Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease InhibitorsNedra Mekni, Claudia Coronnello, Thierry Langer, et al.
Organic Letters|May 25, 2016
Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to FormamidesVittorio Pace, Karen de la Vega-Hernández, Ernst Urban, et al.
Journal of Computer-Aided Molecular Design|September 30, 2006
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screeningTheodora M Steindl, Daniela Schuster, Gerhard Wolber, et al.
Journal of Enzyme Inhibition and Medicinal Chemistry|October 5, 2018
Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitorsDaniela Schuster, Martina Zederbauer, Thierry Langer, et al.
Angewandte Chemie (International Ed. in English)|December 15, 2018
Telescoped, Divergent, Chemoselective C1 and C1-C1 Homologation of Imine Surrogates: Access to Quaternary Chloro- and Halomethyl-Trifluoromethyl AziridinesLaura Ielo, Saad Touqeer, Alexander Roller, et al.
Pageof 20