Hadjer Khelfaoui

Molecular docking, molecular dynamics simulations and reactivity, studies on approved drugs library targeting ACE2 and SARS-CoV-2 binding with ACE2

Hadjer Khelfaoui, D. Harkati, B. Saleh, 2020, Journal of biomolecular structure & dynamics.

In Silico Pesticide Discovery for New Anti-Tobacco Mosaic Virus Agents: Reactivity, Molecular Docking, and Molecular Dynamics Simulations

Hadjer Khelfaoui, D. Harkati, B. A. Saleh, 2022, Applied Sciences.

In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3.

H. Ait Ahsaine, M. Elhallaoui, Hanine Hadni, 2023, Journal of biomolecular structure & dynamics.

In-Silico Evaluation, Chemical Reactivity, and Covalent Docking Study of Various Quinazolines and Pyridopyrimidines as Inhibitors for the Epidermal Growth Factor Receptor

Hadjer Khelfaoui, D. Harkati, Radwan Alnajjar, 2023, Polycyclic Aromatic Compounds.