Number of documents


Sana Bougueroua

Journal articles3 documents

  • Daria Galimberti, Sana Bougueroua, Jerome Mahé, Matteo Tommasini, Anouk Rijs, et al.. Conformational assignment of gas phase peptides and their H-Bonded complexes using far-IR/THz: IR- UV ion dip experiment, DFT-MD spectroscopy, and Graph Theory for modes assignment. Faraday Discussions, Royal Society of Chemistry, 2019, ⟨10.1039/C8FD00211H⟩. ⟨hal-02082493⟩
  • Alessandra Serva, Simone Pezzotti, Sana Bougueroua, Daria Ruth Galimberti, Marie-Pierre Gaigeot. Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface. Journal of Molecular Structure, Elsevier, 2018, 1165, pp.71-78. ⟨10.1016/j.molstruc.2018.03.074⟩. ⟨hal-02082460⟩
  • Sana Bougueroua, Riccardo Spezia, S. Pezzotti, Sandrine Vial, Franck Quessette, et al.. Graph theory for automatic structural recognition in molecular dynamics simulations. Journal of Chemical Physics, American Institute of Physics, 2018, 149 (18), pp.184102. ⟨10.1063/1.5045818⟩. ⟨hal-02006601⟩

Book sections1 document

  • Dominique Barth, Sana Bougueroua, Marie-Pierre Gaigeot, Franck Quessette, Riccardo Spezia, et al.. A New Graph Algorithm for the Analysis of Conformational Dynamics of Molecules.. Springer. Information Sciences and Systems 2015 : 30th International Symposium on Computer and Information Sciences (ISCIS 2015), 363, pp.319, 2015. ⟨hal-01220093⟩

Theses1 document

  • Sana Bougueroua. Caractérisation de structures explorées dans les simulations de dynamique moléculaire.. Algorithme et structure de données [cs.DS]. Université Paris-Saclay, 2017. Français. ⟨NNT : 2017SACLV099⟩. ⟨tel-01737620⟩