Ronan Bureau

27 papers A* 1B 2Journal 22Unranked 1
YearRankTypeTitle / Venue / Authors
2025 — conf
Graph Neural Network Based on Molecular and Pharmacophoric Features for Drug Design Applications.
GbRPR
Mariana Azevedo, Luc Brun, Pierre Héroux, Jean Luc Lamotte, Ronan Bureau, Alban Lepailleur
2023 B conf
Explanations for Itemset Mining by Constraint Programming: A Case Study Using ChEMBL Data.
IDA
Maksim Koptelov, Albrecht Zimmermann, Patrice Boizumault, Ronan Bureau, Jean Luc Lamotte
2023 J jnl
Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta.
J. Cheminformatics
Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Crémilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau
2022 J jnl
Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data.
J. Chem. Inf. Model.
Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean Luc Lamotte, Bertrand Cuissart, Ronan Bureau
2022 B conf
Selecting Outstanding Patterns Based on Their Neighbourhood.
IDA
Etienne Lehembre, Ronan Bureau, Bruno Crémilleux, Bertrand Cuissart, Jean Luc Lamotte, Alban Lepailleur, Abdelkader Ouali, Albrecht Zimmermann
2021 J jnl
Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1.
J. Chem. Inf. Model.
Mohammed Benabderrahmane, Ronan Bureau, Anne Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos
2020 J jnl
Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis.
J. Chem. Inf. Model.
Mohammed Benabderrahmane, Ronan Bureau, Anne Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos
2018 A* conf
PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds.
KDD
Maksim Koptelov, Albrecht Zimmermann, Pascal Bonnet, Ronan Bureau, Bruno Crémilleux
2017 J jnl
Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.
J. Chem. Inf. Model.
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
2017 J jnl
Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode.
J. Chem. Inf. Model.
Jade Fogha, Bogdan Marekha, Marcella De Giorgi, Anne Sophie Voisin-Chiret, Sylvain Rault, Ronan Bureau, Jana Sopkova-de Oliveira Santos
2015 J jnl
Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns.
J. Chem. Inf. Model.
Jean-Philippe Métivier, Alban Lepailleur, Aleksey Buzmakov, Guillaume Poezevara, Bruno Crémilleux, Sergei O. Kuznetsov, Jérémie Le Goff, Amedeo Napoli, Ronan Bureau, Bertrand Cuissart
2014 J jnl
Dual Histamine H
J. Chem. Inf. Model.
Alban Lepailleur, Thomas Freret, Stéphane Lemaître, Michel Boulouard, François Dauphin, Antoine Hinschberger, Fabienne Dulin, Aurélien Lesnard, Ronan Bureau, Sylvain Rault
2013 — ch.
Emerging Patterns as Structural Alerts for Computational Toxicology.
Contrast Data Mining
Bertrand Cuissart, Guillaume Poezevara, Bruno Crémilleux, Alban Lepailleur, Ronan Bureau
2012 J jnl
Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics.
J. Chem. Inf. Model.
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
2010 J jnl
Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology.
J. Chem. Inf. Model.
Sylvain Lozano, Guillaume Poezevara, Marie-Pierre Halm-Lemeille, Elodie Lescot-Fontaine, Alban Lepailleur, Ryan Bissell-Siders, Bruno Crémilleux, Sylvain Rault, Bertrand Cuissart, Ronan Bureau
2010 J jnl
Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors.
J. Chem. Inf. Model.
Alban Lepailleur, Stéphane Lemaître, Xiao Feng, Jana Sopkova-de Oliveira Santos, Philippe Delagrange, Jean Boutin, Pierre Renard, Ronan Bureau, Sylvain Rault
2010 J jnl
Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library.
J. Chem. Inf. Model.
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
2007 J jnl
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.
Elodie Lescot, Jana Sopkova-de Oliveira Santos, Christophe Dubessy, Hassan Oulyadi, Aurélien Lesnard, Hubert Vaudry, Ronan Bureau, Sylvain Rault
2005 J jnl
3D-QSAR and Docking Studies of Selective GSK-3beta Inhibitors. Comparison with a Thieno[2, 3-
J. Chem. Inf. Model.
Elodie Lescot, Ronan Bureau, Jana Sopkova-de Oliveira Santos, Christophe Rochais, Vincent Lisowski, Jean-Charles Lancelot, Sylvain Rault
2005 J jnl
Molecular Modeling Studies Focused on 5-HT
J. Chem. Inf. Model.
Alban Lepailleur, Ronan Bureau, Magalie Paillet-Loilier, Frédéric Fabis, Nicolas Saettel, Stéphane Lemaître, François Dauphin, Aurélien Lesnard, Jean-Charles Lancelot, Sylvain Rault
2004 J jnl
Molecular Design Based on 3D Pharmacophores. Applications to 5-HT
J. Chem. Inf. Model.
Alban Lepailleur, Ronan Bureau, Stéphane Lemaître, François Dauphin, Jean-Charles Lancelot, Vincent Contesse, Sébastien Lenglet, Catherine Delarue, Hubert Vaudry, Sylvain Rault
2002 J jnl
Molecular Design Based on 3D-Pharmacophore. Application to 5-HT Subtypes Receptors.
J. Chem. Inf. Comput. Sci.
Ronan Bureau, Cyril Daveu, Jean-Charles Lancelot, Sylvain Rault
2002 J jnl
Molecular Design Based on 3D-Pharmacophore. Application to 5-HT4 Receptor.
J. Chem. Inf. Comput. Sci.
Ronan Bureau, Cyril Daveu, Stéphane Lemaître, François Dauphin, Henriette Landelle, Jean-Charles Lancelot, Sylvain Rault
2002 J jnl
The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context: Experiments in Quantitative Structure/Biodegradability Relationships.
J. Chem. Inf. Comput. Sci.
Bertrand Cuissart, Frédérique Touffet, Bruno Crémilleux, Ronan Bureau, Sylvain Rault
2001 J jnl
Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands.
J. Chem. Inf. Comput. Sci.
Ronan Bureau, Cyril Daveu, Isabelle Baglin, Jana Sopkova-de Oliveira Santos, Jean-Charles Lancelot, Sylvain Rault
1999 J jnl
Definition of a Pharmacophore for Partial Agonists of Serotonin 5-HT3 Receptors.
J. Chem. Inf. Comput. Sci.
Cyril Daveu, Ronan Bureau, Isabelle Baglin, Hervé Prunier, Jean-Charles Lancelot, Sylvain Rault
1992 J jnl
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.
Sylvain Rault, Ronan Bureau, Juan Carlos Pilo, Max Robba