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2020 – today
- 2023
[j22]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): 116 (2023)- [c3]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: 208-221 - 2022
- [j21]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): 678-691 (2022) - [c2]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: 185-198 - 2021
- [j20]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): 5581-5588 (2021) - 2020
- [j19]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): 3172-3187 (2020)
2010 – 2019
- 2018
- [c1]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: 462-471 - 2017
- [j18]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): 298-310 (2017) - [j17]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): 2885-2895 (2017) - 2015
- [j16]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): 925-940 (2015) - 2014
- [j15]Alban Lepailleur, Thomas Freret, Stéphane Lemaître, Michel Boulouard, François Dauphin, Antoine Hinschberger, Fabienne Dulin, Aurélien Lesnard, Ronan Bureau, Sylvain Rault:
Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology. J. Chem. Inf. Model. 54(6): 1773-1784 (2014) - 2013
- [p1]Bertrand Cuissart, Guillaume Poezevara, Bruno Crémilleux, Alban Lepailleur, Ronan Bureau:
Emerging Patterns as Structural Alerts for Computational Toxicology. Contrast Data Mining 2013: 269-282 - 2012
- [j14]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): 429-439 (2012) - 2010
- [j13]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): 422-428 (2010) - [j12]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): 446-460 (2010) - [j11]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): 1330-1339 (2010)
2000 – 2009
- 2007
- [j10]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): 602-612 (2007) - 2005
- [j9]Elodie Lescot, Ronan Bureau, Jana Sopkova-de Oliveira Santos, Christophe Rochais, Vincent Lisowski, Jean-Charles Lancelot, Sylvain Rault:
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. J. Chem. Inf. Model. 45(3): 708-715 (2005) - [j8]Alban Lepailleur, Ronan Bureau, Magalie Paillet-Loilier, Frédéric Fabis, Nicolas Saettel, Stéphane Lemaître, François Dauphin, Aurélien Lesnard, Jean-Charles Lancelot, Sylvain Rault:
Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors. J. Chem. Inf. Model. 45(4): 1075-1081 (2005) - 2004
- [j7]Alban Lepailleur, Ronan Bureau, Stéphane Lemaître, François Dauphin, Jean-Charles Lancelot, Vincent Contesse, Sébastien Lenglet, Catherine Delarue, Hubert Vaudry, Sylvain Rault:
Molecular Design Based on 3D Pharmacophores. Applications to 5-HT7 Receptors. J. Chem. Inf. Model. 44(3): 1148-1152 (2004) - 2002
- [j6]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): 429-436 (2002) - [j5]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): 962-967 (2002) - [j4]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): 1043-1052 (2002) - 2001
- [j3]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): 815-823 (2001)
1990 – 1999
- 1999
- [j2]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): 362-369 (1999) - 1992
- [j1]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): 553-568 (1992)
Coauthor Index
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last updated on 2024-10-07 21:23 CEST by the dblp team
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