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Total posts by Université de Strasbourg: 18
presentation
·
7 years ago
Towards an expert system for predicting reaction conditions: the Michael reaction case
by
Alexandre Varnek
(
Université de Strasbourg
)
presentation
·
8 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
·
9 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
·
9 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
·
9 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
·
10 years ago
The ScreenDB Virtual Screening Platform - Latest News
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
10 years ago
Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel
by
Didier Rognan
,
Jamel Meslamani
(
Université de Strasbourg
)
publication
·
11 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
·
11 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
·
11 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
·
11 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
·
11 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
·
11 years ago
Interactive structure standardization
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
12 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
·
14 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
·
15 years ago
Determination of solvation parameters using MarvinSketch
by
Paul Laffort
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
15 years ago
[email protected]
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
·
16 years ago
pH-dependent Topological Fuzzy Pharmacophore Triplets
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)