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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 Scores
Christian 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 protein
Theodora 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 Potentials
Anna 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 Approaches
Lisa 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 products
Judith 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 Inhibitors
Nedra Mekni, Claudia Coronnello, Thierry Langer, et al.
Organic Letters
|
May 25, 2016
Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to Formamides
Vittorio 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 screening
Theodora 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) inhibitors
Daniela 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 Aziridines
Laura Ielo, Saad Touqeer, Alexander Roller, et al.
Page
of 20
Search research articles
Search
Showing results (51-60 of 195) with videos related to
Sort By:
Page
of 20
Journal of Chemical Information and Modeling
|
February 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores
Christian 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 protein
Theodora 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 Potentials
Anna 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 Approaches
Lisa 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 products
Judith 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 Inhibitors
Nedra Mekni, Claudia Coronnello, Thierry Langer, et al.
Organic Letters
|
May 25, 2016
Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to Formamides
Vittorio 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 screening
Theodora 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) inhibitors
Daniela 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 Aziridines
Laura Ielo, Saad Touqeer, Alexander Roller, et al.
Page
of 20