Ronan Bureau

Publication Activity (10 Years)

Years Active: 1992-2023
Publications (10 Years): 9

Top Topics

Constraint Programming

Chemical Compounds

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Maksim Koptelov, Albrecht Zimmermann, Patrice Boizumault, Ronan Bureau, Jean Luc Lamotte
Explanations for Itemset Mining by Constraint Programming: A Case Study Using ChEMBL Data. IDA (2023)
Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Crémilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau
Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta. J. Cheminformatics 15 (1) (2023)
Etienne Lehembre, Ronan Bureau, Bruno Crémilleux, Bertrand Cuissart, Jean Luc Lamotte, Alban Lepailleur, Abdelkader Ouali, Albrecht Zimmermann
Selecting Outstanding Patterns Based on Their Neighbourhood. IDA (2022)
Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean Luc Lamotte, Bertrand Cuissart, Ronan Bureau
Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data. J. Chem. Inf. Model. 62 (3) (2022)
Mohammed Benabderrahmane, Ronan Bureau, Anne Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos
Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1. J. Chem. Inf. Model. 61 (11) (2021)
Mohammed Benabderrahmane, Ronan Bureau, Anne Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos
Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis. J. Chem. Inf. Model. 60 (6) (2020)
Maksim Koptelov, Albrecht Zimmermann, Pascal Bonnet, Ronan Bureau, Bruno Crémilleux
PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds. KDD (2018)
Jade Fogha, Bogdan Marekha, Marcella De Giorgi, Anne Sophie Voisin-Chiret, Sylvain Rault, Ronan Bureau, Jana Sopkova-de Oliveira Santos
Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode. J. Chem. Inf. Model. 57 (11) (2017)
Elke Haensele, Nawel Mele, Marija Miljak, Christopher M. Read, David C. Whitley, Lee Banting, Carla Delépée, Jana Sopkova-de Oliveira Santos, Alban Lepailleur, Ronan Bureau, Jonathan W. Essex, Timothy Clark
Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution. J. Chem. Inf. Model. 57 (2) (2017)
Jean-Philippe Métivier, Alban Lepailleur, Aleksey Buzmakov, Guillaume Poezevara, Bruno Crémilleux, Sergei O. Kuznetsov, Jérémie Le Goff, Amedeo Napoli, Ronan Bureau, Bertrand Cuissart
Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns. J. Chem. Inf. Model. 55 (5) (2015)
Alban Lepailleur, Thomas Freret, Stéphane Lemaître, Michel Boulouard, François Dauphin, Antoine Hinschberger, Fabienne Dulin, Aurélien Lesnard, Ronan Bureau, Sylvain Rault
R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology. J. Chem. Inf. Model. 54 (6) (2014)
Jana Sopkova-de Oliveira Santos, Anne Sophie Voisin-Chiret, Gregory Burzicki, Laure Sebaoun, Muriel Sebban, Jean-François Lohier, Rémi Legay, Hassan Oulyadi, Ronan Bureau, Sylvain Rault
Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics. J. Chem. Inf. Model. 52 (2) (2012)
Alban Lepailleur, Stéphane Lemaître, Xiao Feng, Jana Sopkova-de Oliveira Santos, Philippe Delagrange, Jean Boutin, Pierre Renard, Ronan Bureau, Sylvain Rault
Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors. J. Chem. Inf. Model. 50 (3) (2010)
Jana Sopkova-de Oliveira Santos, Aurélien Lesnard, Jean-Hugues Agondanou, Nathalie Dupont, Anne-Marie Godard, Silvia Stiebing, Christophe Rochais, Frédéric Fabis, Patrick Dallemagne, Ronan Bureau, Sylvain Rault
Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library. J. Chem. Inf. Model. 50 (3) (2010)
Sylvain Lozano, Guillaume Poezevara, Marie-Pierre Halm-Lemeille, Elodie Lescot-Fontaine, Alban Lepailleur, Ryan Bissell-Siders, Bruno Crémilleux, Sylvain Rault, Bertrand Cuissart, Ronan Bureau
Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology. J. Chem. Inf. Model. 50 (8) (2010)
Elodie Lescot, Jana Sopkova-de Oliveira Santos, Christophe Dubessy, Hassan Oulyadi, Aurélien Lesnard, Hubert Vaudry, Ronan Bureau, Sylvain Rault
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. 47 (2) (2007)
Elodie Lescot, Ronan Bureau, Jana Sopkova-de Oliveira Santos, Christophe Rochais, Vincent Lisowski, Jean-Charles Lancelot, Sylvain Rault
]pyrrolizinone Derivative, a New Potential Lead for GSK-3beta Ligands. J. Chem. Inf. Model. 45 (3) (2005)
Alban Lepailleur, Ronan Bureau, Magalie Paillet-Loilier, Frédéric Fabis, Nicolas Saettel, Stéphane Lemaître, François Dauphin, Aurélien Lesnard, Jean-Charles Lancelot, Sylvain Rault
Receptors. J. Chem. Inf. Model. 45 (4) (2005)
Alban Lepailleur, Ronan Bureau, Stéphane Lemaître, François Dauphin, Jean-Charles Lancelot, Vincent Contesse, Sébastien Lenglet, Catherine Delarue, Hubert Vaudry, Sylvain Rault
Receptors. J. Chem. Inf. Model. 44 (3) (2004)
Ronan Bureau, Cyril Daveu, Stéphane Lemaître, François Dauphin, Henriette Landelle, Jean-Charles Lancelot, Sylvain Rault
Molecular Design Based on 3D-Pharmacophore. Application to 5-HT4 Receptor. J. Chem. Inf. Comput. Sci. 42 (4) (2002)
Ronan Bureau, Cyril Daveu, Jean-Charles Lancelot, Sylvain Rault
Molecular Design Based on 3D-Pharmacophore. Application to 5-HT Subtypes Receptors. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Bertrand Cuissart, Frédérique Touffet, Bruno Crémilleux, Ronan Bureau, Sylvain Rault
The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context: Experiments in Quantitative Structure/Biodegradability Relationships. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
Ronan Bureau, Cyril Daveu, Isabelle Baglin, Jana Sopkova-de Oliveira Santos, Jean-Charles Lancelot, Sylvain Rault
Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands. J. Chem. Inf. Comput. Sci. 41 (3) (2001)
Cyril Daveu, Ronan Bureau, Isabelle Baglin, Hervé Prunier, Jean-Charles Lancelot, Sylvain Rault
Definition of a Pharmacophore for Partial Agonists of Serotonin 5-HT3 Receptors. J. Chem. Inf. Comput. Sci. 39 (2) (1999)
Sylvain Rault, Ronan Bureau, Juan Carlos Pilo, Max Robba
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. 6 (6) (1992)