Mohammed Bouachrine
Meknes, Morocco
Last Updated: 09/26/2026
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Found 81 publications
Molecular insight, rational chemical design and computational assessment of thiazole-based DHODH inhibitors: from structural modelling to binding free energy calculations.
Journal: Journal of biomolecular structure & dynamics
Published: December 07, 2025
Integrated Computational Investigation of Cannabis sativa Phytoconstituents as Putative Multi-Target Inhibitors in Skin Cancer: A Molecular Docking, Dynamics, and ADMET Profiling Study.
Journal: Pharmaceuticals (Basel, Switzerland)
Published: November 30, 2025
Synthesis, structural characterization, spectroscopic analyses, DFT-modeling, and RDG-NCI assessment of 4-dimethylaminopyridinium dihydrogen monophosphate.
Journal: Frontiers in chemistry
Published: September 10, 2025
Organic electronics: pioneering the future of sustainable and flexible technology.
Journal: RSC advances
Published: July 01, 2025
Integrated computational evaluation of flavonoids from Artemisia campestris L. as FLT3 inhibitors: molecular docking, dynamics, ADMET, DFT, and topological (ELF, LOL) insights.
Journal: Journal of molecular modeling
Published: June 23, 2025
A multi-Level Study of 20S proteasome inhibitors: an integrated approach combining chemistry and Modelling.
Journal: Journal of molecular graphics & modelling
Published: April 16, 2025
Computational investigation of medicinal plants' active ingredient effects as a potential Zika virus treatment: molecular docking, molecular dynamics simulations, ADMET screening, and DFT.
Journal: Journal of molecular modeling
Published: February 17, 2025
Chalcogen-Substituted Fluorinated π-Conjugated Systems: DFT-Guided Insights Into Optoelectronic Properties, Luminescence Behavior, and Photovoltaic Performance.
Journal: Luminescence : the journal of biological and chemical luminescence
Published: February 04, 2025
Pyrazole-benzimidazole derivatives targeting MCF-7 breast cancer cells as potential anti-proliferative agents. 3D QSAR and In-silico investigations via molecular docking and molecular dynamics simulations.
Journal: Computers in biology and medicine
Published: November 30, 2024
Last Updated: 09/26/2026