Imane Djellala

Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations

Rayene Kadri, Imane Djellala, Abdelaziz Bouhadiba et al. · Journal of Molecular Structure · 2021 · 48 citations

Natural Sciences, Biochemistry, Biomolecular Modeling +10

Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit[n]urils (n = 7,8) using DFT-D3 correction dispersion

Imane Djellala, Nouar Leila, Madi Fatiha et al. · Journal of Molecular Liquids · 2020 · 34 citations

Natural Sciences, Chemistry, Materials Science +16

Computational investigation of vanillin@βéta-cyclodextrin inclusion complex: Electronic and intermolecular analysis

Gheribi Meryem, R. Ksouri, Madi Fatiha et al. · Journal of Molecular Liquids · 2020 · 17 citations

Natural Sciences, Chemistry, Materials Science +14

Host–Guest Inclusion Systems of Vanillic Acid into α-Cyclodextrin: Structures, Electronic Properties, QTAIM, NCI and IGM Analyses with Dispersion Corrected Calculations

Imane Djellala, Merabet Nora, Nouar Leila et al. · Polycyclic aromatic compounds · 2023 · 17 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

A density functional theory study on the adsorption of the β-lapachone anti-cancer drug onto the MB11N12 (M = au, Rh and Ru) nanoclusters as a drug delivery

Mouhssin Boulbazine, Imane Djellala, Abdel‐Ghani Boudjahem · Journal of Molecular Graphics and Modelling · 2025 · 12 citations

Pharmacy, Medicinal Chemistry, Oncology +12