Toward the understanding of the environmental effects on core ionizations. - Adèle D. Laurent; Vitaly N. Glushkov; Thibaut Very; Xavier Assfeld (J. Comput. Chem., 2014)

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)

Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods. - Laurence Leherte; Axel Petit; Denis Jacquemin; Daniel P. Vercauteren; Adèle D. Laurent (J. Comput. Aided Mol. Des., 2018)

PBmapclust: Mapping and Clustering the Protein Conformational Space Using a Structural Alphabet. - Iyanar Vetrivel; Lionel Hoffmann; Sean Guegan; Bernard O. Offmann; Adèle D. Laurent (MolVa@EuroVis, 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)

Structure-based identification of inhibitors disrupting the CD2-CD58 interactions. - Neha Tripathi; Laurence Leherte; Daniel P. Vercauteren; Adèle D. Laurent (J. Comput. Aided Mol. Des., 2021)