Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands. - Sylvain Rault; Ronan Bureau; Juan Carlos Pilo; Max Robba (J. Comput. Aided Mol. Des., 1992)

Definition of a Pharmacophore for Partial Agonists of Serotonin 5-HT3 Receptors. - Cyril Daveu; Ronan Bureau; Isabelle Baglin; Hervé Prunier; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Comput. Sci., 1999)

Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands. - Ronan Bureau; Cyril Daveu; Isabelle Baglin; Jana Sopkova-de Oliveira Santos; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Comput. Sci., 2001)

Molecular Design Based on 3D-Pharmacophore. Application to 5-HT4 Receptor. - Ronan Bureau; Cyril Daveu; Stéphane Lemaître; François Dauphin; Henriette Landelle; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Comput. Sci., 2002)

Molecular Design Based on 3D-Pharmacophore. Application to 5-HT Subtypes Receptors. - Ronan Bureau; Cyril Daveu; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Comput. Sci., 2002)

The Maximum Common Substructure as a Molecular Depiction in a Supervised Classification Context: Experiments in Quantitative Structure/Biodegradability Relationships. - Bertrand Cuissart; Frédérique Touffet; Bruno Crémilleux; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Comput. Sci., 2002)

Molecular Design Based on 3D Pharmacophores. Applications to 5-HT7 Receptors. - Alban Lepailleur; Ronan Bureau; Stéphane Lemaître; François Dauphin; Jean-Charles Lancelot; Vincent Contesse; Sébastien Lenglet; Catherine Delarue; Hubert Vaudry; Sylvain Rault (J. Chem. Inf. Model., 2004)

Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors. - Alban Lepailleur; Ronan Bureau; Magalie Paillet-Loilier; Frédéric Fabis; Nicolas Saettel; Stéphane Lemaître; François Dauphin; Aurélien Lesnard; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Model., 2005)

3D-QSAR and Docking Studies of Selective GSK-3beta Inhibitors. Comparison with a Thieno[2, 3-b]pyrrolizinone Derivative, a New Potential Lead for GSK-3beta Ligands. - Elodie Lescot; Ronan Bureau; Jana Sopkova-de Oliveira Santos; Christophe Rochais; Vincent Lisowski; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Model., 2005)

Definition of New Pharmacophores for Nonpeptide Antagonists of Human Urotensin-II. Comparison with the 3D-structure of Human Urotensin-II and URP. - Elodie Lescot; Jana Sopkova-de Oliveira Santos; Christophe Dubessy; Hassan Oulyadi; Aurélien Lesnard; Hubert Vaudry; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2007)

Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors. - Alban Lepailleur; Stéphane Lemaître; Xiao Feng; Jana Sopkova-de Oliveira Santos; Philippe Delagrange; Jean Boutin; Pierre Renard; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2010)

Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology. - Sylvain Lozano; Guillaume Poezevara; Marie-Pierre Halm-Lemeille; Elodie Lescot-Fontaine; Alban Lepailleur; Ryan Bissell-Siders; Bruno Crémilleux; Sylvain Rault; Bertrand Cuissart; Ronan Bureau (J. Chem. Inf. Model., 2010)

Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library. - 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 (J. Chem. Inf. Model., 2010)

Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics. - 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 (J. Chem. Inf. Model., 2012)

Emerging Patterns as Structural Alerts for Computational Toxicology. - Bertrand Cuissart; Guillaume Poezevara; Bruno Crémilleux; Alban Lepailleur; Ronan Bureau (Contrast Data Mining, 2013)

Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology. - Alban Lepailleur; Thomas Freret; Stéphane Lemaître; Michel Boulouard; François Dauphin; Antoine Hinschberger; Fabienne Dulin; Aurélien Lesnard; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2014)

Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns. - Jean-Philippe Métivier; Alban Lepailleur; Aleksey Buzmakov 002; Guillaume Poezevara; Bruno Crémilleux; Sergei O. Kuznetsov; Jérémie Le Goff; Amedeo Napoli; Ronan Bureau; Bertrand Cuissart (J. Chem. Inf. Model., 2015)

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution. - 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 (J. Chem. Inf. Model., 2017)

Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode. - Jade Fogha; Bogdan Marekha; Marcella De Giorgi; Anne Sophie Voisin-Chiret; Sylvain Rault; Ronan Bureau; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2017)

PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds. - Maksim Koptelov; Albrecht Zimmermann; Pascal Bonnet; Ronan Bureau; Bruno Crémilleux (KDD, 2018)

Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2020)

Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2021)

Selecting Outstanding Patterns Based on Their Neighbourhood. - Etienne Lehembre; Ronan Bureau; Bruno Crémilleux; Bertrand Cuissart; Jean Luc Lamotte; Alban Lepailleur; Abdelkader Ouali; Albrecht Zimmermann (IDA, 2022)

Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data. - Damien Geslin; Alban Lepailleur; Jean-Luc Manguin; Nhat-Vinh Vo; Jean Luc Lamotte; Bertrand Cuissart; Ronan Bureau (J. Chem. Inf. Model., 2022)

Explanations for Itemset Mining by Constraint Programming: A Case Study Using ChEMBL Data. - Maksim Koptelov; Albrecht Zimmermann; Patrice Boizumault; Ronan Bureau; Jean Luc Lamotte (IDA, 2023)

Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta. - Etienne Lehembre; Johanna Giovannini; Damien Geslin; Alban Lepailleur; Jean Luc Lamotte; David Auber; Abdelkader Ouali; Bruno Crémilleux; Albrecht Zimmermann; Bertrand Cuissart; Ronan Bureau (J. Cheminformatics, 2023)

Graph Neural Network Based on Molecular and Pharmacophoric Features for Drug Design Applications. - Mariana Azevedo; Luc Brun; Pierre Héroux; Jean Luc Lamotte; Ronan Bureau; Alban Lepailleur (GbRPR, 2025)