Yassir Boulaamane

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Yassir Boulaamane

Postdoctoral Researcher

About Me

Yassir Boulaamane is a postdoctoral researcher in physics- and AI-driven molecular modelling. His research focuses on computational drug discovery, cheminformatics, and the application of artificial intelligence to molecular modelling, with a particular interest in neurodegenerative diseases, antimicrobial resistance, and cross-species metabolism prediction.

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Interests

Drug Discovery
Computational Chemistry
Artificial Intelligence

Education

PhD Computational Drug Discovery

Abdelmalek Essaadi University
MSc Biology & Biomaterials

Mohammed V University
BSc Biology & Health

Mohammed V University

My Research

I’m a computational drug discovery scientist. My work focuses on AI, cheminformatics, and molecular modeling to accelerate the discovery of new therapeutics, especially for neurodegenerative and infectious diseases.

I use a mix of machine learning, QSAR modeling, molecular docking, and molecular dynamics simulations to explore natural products, drug repurposing, and cross-species metabolism.

Please reach out to collaborate!

Recent Publications

Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations

Apr 14, 2025

Virtual Screening and Identification of Natural Molecules as Promising Quorum Sensing Inhibitors against Pseudomonas aeruginosa

Feb 15, 2025

Computational Investigation of Phytochemicals from Aloysia citriodora as Drug Targets for Parkinson’s Disease-Associated Proteins

Dec 11, 2024

Metal and Metal Oxide Nanoparticles: Computational Analysis of Their Interactions and Antibacterial Activities Against Pseudomonas aeruginosa

Dec 5, 2024

Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson’s disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches

Oct 8, 2024