Jean-Yves Le Questel

According to our database, Jean-Yves Le Questel authored at least 5 papers between 2012 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone.

Zakaria Bouchouireb, Steeve H. Thany, Jean-Yves Le Questel

J. Comput. Chem., 2024

2019

Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches.

Zakaria Alamiddine, Balaji Selvam, Jérôme Graton, Adèle D. Laurent, Elodie Landagaray, Jacques Lebreton, Monique Mathé-Allainmat, Steeve H. Thany, Jean-Yves Le Questel

J. Chem. Inf. Model., 2019

2016

Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study.

Jérôme Graton, Jean-Yves Le Questel, Peter Maxwell, Paul L. A. Popelier

J. Chem. Inf. Model., 2016

2015

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

Zakaria Alamiddine, Balaji Selvam, José Pedro Cerón-Carrasco, Monique Mathé-Allainmat, Jacques Lebreton, Steeve H. Thany, Adèle D. Laurent, Jérôme Graton, Jean-Yves Le Questel

J. Comput. Aided Mol. Des., 2015

2012

Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry.

Nicolas Galland, Soleymane Kone, Jean-Yves Le Questel

J. Comput. Aided Mol. Des., 2012