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ORCIDJean-Yves Le Questel
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Journal Articles
- 2024
[j5]Zakaria Bouchouireb
, Steeve H. Thany, Jean-Yves Le Questel:
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone. J. Comput. Chem. 45(7): 377-391 (2024)- 2019
- [j4]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. J. Chem. Inf. Model. 59(9): 3755-3769 (2019) - 2016
- [j3]Jérôme Graton, Jean-Yves Le Questel, Peter Maxwell, Paul L. A. Popelier:
Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study. J. Chem. Inf. Model. 56(2): 322-334 (2016) - 2015
- [j2]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:
Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation. J. Comput. Aided Mol. Des. 29(12): 1151-1167 (2015) - 2012
- [j1]Nicolas Galland, Soleymane Kone, Jean-Yves Le Questel:
Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry. J. Comput. Aided Mol. Des. 26(10): 1111-1126 (2012)
Coauthor Index
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