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Thierry Langer

Showing results (21-30 of 194) with videos related to

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Journal of Chemical Information and Modeling|January 26, 2005
Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor XaEva M Krovat, Karin H Frühwirth, Thierry Langer
Journal of Chemical Information and Modeling|July 25, 2006
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformationsJohannes Kirchmair, Gerhard Wolber, Christian Laggner, et al.
Frontiers in Chemistry|June 20, 2022
Improving Small Molecule pK <sub><i>a</i></sub> Prediction Using Transfer Learning With Graph Neural NetworksFritz Mayr, Marcus Wieder, Oliver Wieder, et al.
Natural Product Communications|December 15, 2018
Pharmacophore Models Derived From Molecular Dynamics Simulations of Protein-Ligand Complexes: A Case StudyMarcus Wieder, Ugo Perricone, Thomas Seidel, et al.
Journal of Chemical Information and Modeling|April 6, 2005
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithmsJohannes Kirchmair, Christian Laggner, Gerhard Wolber, et al.
Journal of Chemical Information and Modeling|December 13, 2018
LigandScout Remote: A New User-Friendly Interface for HPC and Cloud ResourcesThomas Kainrad, Sascha Hunold, Thomas Seidel, et al.
Journal of Chemical Information and Modeling|May 23, 2006
Influence of the conditions in pharmacophore generation, scoring, and 3D database search for chemical feature-based pharmacophore models: one application study of ETA- and ETB-selective antagonistsJoan R Cucarull-González, Christian Laggner, Thierry Langer
Chemical Communications (Cambridge, England)|August 12, 2017
Evidence and isolation of tetrahedral intermediates formed upon the addition of lithium carbenoids to Weinreb amides and N-acylpyrrolesLaura Castoldi, Wolfgang Holzer, Thierry Langer, et al.
Drug Discovery Today|January 15, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug designGerhard Wolber, Thomas Seidel, Fabian Bendix, et al.
Current Opinion in Pharmacology|July 7, 2009
Hit finding: towards 'smarter' approachesThierry Langer, Rémy Hoffmann, Sharon Bryant, et al.
Pageof 20

Showing results (21-30 of 194) with videos related to

Sort By:
Pageof 20
Journal of Chemical Information and Modeling|January 26, 2005
Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor XaEva M Krovat, Karin H Frühwirth, Thierry Langer
Journal of Chemical Information and Modeling|July 25, 2006
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformationsJohannes Kirchmair, Gerhard Wolber, Christian Laggner, et al.
Frontiers in Chemistry|June 20, 2022
Improving Small Molecule pK <sub><i>a</i></sub> Prediction Using Transfer Learning With Graph Neural NetworksFritz Mayr, Marcus Wieder, Oliver Wieder, et al.
Natural Product Communications|December 15, 2018
Pharmacophore Models Derived From Molecular Dynamics Simulations of Protein-Ligand Complexes: A Case StudyMarcus Wieder, Ugo Perricone, Thomas Seidel, et al.
Journal of Chemical Information and Modeling|April 6, 2005
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithmsJohannes Kirchmair, Christian Laggner, Gerhard Wolber, et al.
Journal of Chemical Information and Modeling|December 13, 2018
LigandScout Remote: A New User-Friendly Interface for HPC and Cloud ResourcesThomas Kainrad, Sascha Hunold, Thomas Seidel, et al.
Journal of Chemical Information and Modeling|May 23, 2006
Influence of the conditions in pharmacophore generation, scoring, and 3D database search for chemical feature-based pharmacophore models: one application study of ETA- and ETB-selective antagonistsJoan R Cucarull-González, Christian Laggner, Thierry Langer
Chemical Communications (Cambridge, England)|August 12, 2017
Evidence and isolation of tetrahedral intermediates formed upon the addition of lithium carbenoids to Weinreb amides and N-acylpyrrolesLaura Castoldi, Wolfgang Holzer, Thierry Langer, et al.
Drug Discovery Today|January 15, 2008
Molecule-pharmacophore superpositioning and pattern matching in computational drug designGerhard Wolber, Thomas Seidel, Fabian Bendix, et al.
Current Opinion in Pharmacology|July 7, 2009
Hit finding: towards 'smarter' approachesThierry Langer, Rémy Hoffmann, Sharon Bryant, et al.
Pageof 20