search

Total posts by Université de Strasbourg: 18

presentation · 5 years ago
Towards an expert system for predicting reaction conditions: the Michael reaction case
by Alexandre Varnek (Université de Strasbourg)
presentation · 6 years ago
Developing new stuff on a solid basis: Academic applications of the ChemAxon API
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 7 years ago
Dealing with 'exotic' similarity metrics - live on the Web
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 7 years ago
Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor-Ligand Fingerprint Similarity Search
by Didier Rognan, Nathanael Weill, Christel Valencia, Sophie Gioria, Pascal Villa, Marcel Hibert (Université de Strasbourg)
publication · 7 years ago
Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)
by Esther Kellenberger, Didier Rognan, Javier Garcia-Perez, Patricia Rueda, Jose Alcami, Fernando Arenzana-Seisdedos, Bernard Lagane (Université de Strasbourg, Institut Pasteur, Insituto de Salud Carlos, Institut National de la Santé et de la Recherche Médicale (INSERM))
presentation · 8 years ago
The ScreenDB Virtual Screening Platform - Latest News
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 8 years ago
Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel
by Didier Rognan, Jamel Meslamani (Université de Strasbourg)
publication · 8 years ago
Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems
by Nicolas Foata, Esther Kellenberger, Didier Rognan (Université de Strasbourg)
publication · 8 years ago
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
by Dragos Horvath, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
publication · 8 years ago
Development and Validation of a Novel Protein? Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands
by Didier Rognan, Nathanael Weill (Université de Strasbourg)
publication · 8 years ago
Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores
by Didier Rognan, Gilles Marcou, Caterina Barillari (Université de Strasbourg)
poster · 8 years ago
Predictive models to detect incorrect atom-atom mapping of reactions using condensed graph of reactions
by Gilles Marcou, Alexandre Varnek, Christophe Muller (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 9 years ago
Interactive structure standardization
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 10 years ago
Pharmacophore and physico-chemical property-colored fragmental descriptors 
by Dragos Horvath, Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
featured
presentation · 11 years ago
VSEngine - Similarity & Property prediction based Virtual Screening Web Services
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 12 years ago
Determination of solvation parameters using MarvinSketch
by Paul Laffort (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 12 years ago
Docking@Grid-A Web Portal for Massively Parallel Flexible Docking, using the ChemAxon Toolkit
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))
presentation · 13 years ago
pH-dependent Topological Fuzzy Pharmacophore Triplets
by Dragos Horvath (Université de Strasbourg, Centre National pour la Recherche Scientifique (CNRS))