Ronan Bureau
Orcid: 0000-0001-9404-8117
According to our database1,
Ronan Bureau
authored at least 26 papers
between 1992 and 2023.
Collaborative distances:
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Bibliography
2023
Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta.
J. Cheminformatics, December, 2023
Explanations for Itemset Mining by Constraint Programming: A Case Study Using ChEMBL Data.
Proceedings of the Advances in Intelligent Data Analysis XXI, 2023
2022
J. Chem. Inf. Model., 2022
Proceedings of the Advances in Intelligent Data Analysis XX, 2022
2021
Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1.
J. Chem. Inf. Model., 2021
2020
Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis.
J. Chem. Inf. Model., 2020
2018
PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds.
Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, 2018
2017
J. Chem. Inf. Model., November, 2017
Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.
J. Chem. Inf. Model., 2017
2015
Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns.
J. Chem. Inf. Model., 2015
2014
Dual Histamine H<sub>3</sub>R/Serotonin 5-HT<sub>4</sub>R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology.
J. Chem. Inf. Model., 2014
2013
Emerging Patterns as Structural Alerts for Computational Toxicology.
Proceedings of the Contrast Data Mining: Concepts, Algorithms, and Applications, 2013
2012
J. Chem. Inf. Model., 2012
2010
Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library.
J. Chem. Inf. Model., 2010
Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology.
J. Chem. Inf. Model., 2010
Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors.
J. Chem. Inf. Model., 2010
2007
Definition of New Pharmacophores for Nonpeptide Antagonists of Human Urotensin-II. Comparison with the 3D-structure of Human Urotensin-II and URP.
J. Chem. Inf. Model., 2007
2005
3D-QSAR and Docking Studies of Selective GSK-3beta Inhibitors. Comparison with a Thieno[2, 3-<i>b</i>]pyrrolizinone Derivative, a New Potential Lead for GSK-3beta Ligands.
J. Chem. Inf. Model., 2005
Molecular Modeling Studies Focused on 5-HT<sub>7</sub> versus 5-HT<sub>1A</sub> Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT<sub>7</sub> Receptors.
J. Chem. Inf. Model., 2005
2004
Molecular Design Based on 3D Pharmacophores. Applications to 5-HT<sub>7</sub> Receptors.
J. Chem. Inf. Model., 2004
2002
The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context: Experiments in Quantitative Structure/Biodegradability Relationships.
J. Chem. Inf. Comput. Sci., 2002
J. Chem. Inf. Comput. Sci., 2002
J. Chem. Inf. Comput. Sci., 2002
2001
Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands.
J. Chem. Inf. Comput. Sci., 2001
1999
J. Chem. Inf. Comput. Sci., 1999
1992
Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands.
J. Comput. Aided Mol. Des., 1992