article · Journal of Molecular Graphics and Modelling

Multiscale in-silico profiling of phenoxy-acetamide: integrated ADME–Tox assessment, multi-target docking, molecular-dynamics validation, and Hirshfeld crystal analysis for antibacterial lead optimization

Abdessamad Benabbou
Mohamed Anouar Harrad
Hossni Ziyat
Youssef Draoui
Ashraf Ahmed Qurtam
Said Abadi
Mohammed Al‐Zharani
Oussama Khibech
Mohamed Bouhrim
Allal Challioui
Fahd A. Nasr
Rachid S. Touzani

20261 citationUniversité Sultan Moulay Slimane

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Research topics

Computational Drug Discovery Methods
Crystallography and molecular interactions
Graphene and Nanomaterials Applications

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DOI: 10.1016/j.jmgm.2026.109330

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