Ronan Bureau

According to our database1, Ronan Bureau authored at least 20 papers between 1992 and 2020.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

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
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
Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics.
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

Molecular Design Based on 3D-Pharmacophore. Application to 5-HT Subtypes Receptors.
J. Chem. Inf. Comput. Sci., 2002

Molecular Design Based on 3D-Pharmacophore. Application to 5-HT4 Receptor.
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
Definition of a Pharmacophore for Partial Agonists of Serotonin 5-HT3 Receptors.
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


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