Jean-Yves Le Questel

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 15

Top Topics

Density Functional Theory

Transition Metal

Molecular Dynamics

Top Venues

Chemphyschem : a European journal of chemical physics and physical chemistry

The Journal of organic chemistry

Journal of medicinal chemistry

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Jean-Yves Le Questel
Conformations and Physicochemical Properties of Biological Ligands in Various Environments. International journal of molecular sciences 24 (11) (2023)
Zakaria Bouchouireb, Steeve H Thany, Jean-Yves Le Questel
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone. Journal of computational chemistry (2023)
Wieneke Dijk, Mathilde Di Filippo, Sander Kooijman, Robin van Eenige, Antoine Rimbert, Amandine Caillaud, Aurélie Thedrez, Lucie Arnaud, Amanda Pronk, Damien Garçon, Thibaud Sotin, Pierre Lindenbaum, Enrique Ozcariz Garcia, Jean-Paul Pais de Barros, Laurence Duvillard, Karim Si-Tayeb, Nuria Amigo, Jean-Yves Le Questel, Patrick C N Rensen, Cédric Le May, Philippe Moulin, Bertrand Cariou
Identification of a Gain-of-Function LIPC Variant as a Novel Cause of Familial Combined Hypocholesterolemia. Circulation 146 (10) (2022)
Nicolas Galland, Christian Laurence, Jean-Yves Le Questel
The p K BHX Hydrogen-Bond Basicity Scale: From Molecules to Anions. The Journal of organic chemistry 87 (11) (2022)
Serigne Sarr, Julien Pilmé, Gilles Montavon, Jean-Yves Le Questel, Nicolas Galland
Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding. Molecules (Basel, Switzerland) 26 (15) (2021)
Alison Cartereau, Emiliane Taillebois, Jean-Yves Le Questel, Steeve H Thany
Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor. International journal of molecular sciences 22 (18) (2021)
Benjamin Jeffries, Zhong Wang, Robert I Troup, Anaïs Goupille, Jean-Yves Le Questel, Charlene Fallan, James S Scott, Elisabetta Chiarparin, Jérôme Graton, Bruno Linclau
Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups. Beilstein journal of organic chemistry 16 (2020)
Jérôme Graton, Maykel Hernández-Mesa, Samuel Normand, Gaud Dervilly, Jean-Yves Le Questel, Bruno Le Bizec
Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations. Analytical chemistry 92 (8) (2020)
Fadel Bassal, Julie Champion, Sylvain Pardoue, Mahamadou Seydou, Andrea Sabatié-Gogova, David Deniaud, Jean-Yves Le Questel, Gilles Montavon, Nicolas Galland
Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed. Inorganic chemistry 59 (19) (2020)
Benjamin Jeffries, Zhong Wang, Hannah R Felstead, Jean-Yves Le Questel, James S Scott, Elisabetta Chiarparin, Jérôme Graton, Bruno Linclau
Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs. Journal of medicinal chemistry 63 (3) (2020)
Zakaria Alamiddine, Balaji Selvam, Jérôme Graton, Adèle D Laurent, Elodie Landagaray, Jacques Lebreton, Monique Mathé-Allainmat, Steeve H Thany, Jean-Yves Le Questel
Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches. Journal of chemical information and modeling 59 (9) (2019)
Lucas Quiquempoix, Zhong Wang, Jérôme Graton, Peter G Latchem, Mark Light, Jean-Yves Le Questel, Bruno Linclau
Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose. The Journal of organic chemistry 84 (9) (2019)
Zakaria Alamiddine, Steeve H Thany, Jérôme Graton, Jean-Yves Le Questel
Conformations and Binding Properties of Thiametoxam and Clothianidin Neonicotinoid Insecticides to Nicotinic Acetylcholine Receptors: The Contribution of σ-Hole Interactions. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (22) (2018)
Benjamin Jeffries, Zhong Wang, Jérôme Graton, Simon D Holland, Thomasin Brind, Ryan D R Greenwood, Jean-Yves Le Questel, James S Scott, Elisabetta Chiarparin, Bruno Linclau
Reducing the Lipophilicity of Perfluoroalkyl Groups by CF2-F/CF2-Me or CF3/CH3 Exchange. Journal of medicinal chemistry 61 (23) (2018)
Elena Bogdan, Alexis Quarré de Verneuil, François Besseau, Guillaume Compain, Bruno Linclau, Jean-Yves Le Questel, Jérôme Graton
α-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (17) (2016)