Yassir Boulaamane
Yassir Boulaamane

Postdoctoral Researcher

About Me

I am a postdoctoral researcher in physics- and AI-driven molecular modelling. My 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 in Rabat

  • BSc Biology & Health

    Mohammed V University in Rabat

My Research

With a Ph.D. in Computational Drug Discovery from Abdelmalek Essaâdi University in Morocco, I am now a Postdoctoral Researcher at Universitat Autònoma de Barcelona, working on cross-species P450 metabolism prediction in collaboration with Syngenta.

My research focuses on applying AI and computational modeling to accelerate drug discovery, particularly in the areas of pesticide metabolism, neurodegenerative diseases, and antimicrobial resistance. I integrate deep learning for molecular property prediction with ligand- and structure-based approaches, molecular dynamics simulations, and free energy calculations to design safer and more effective compounds.

Beyond pesticide modeling, I have a strong interest in natural products as therapeutic leads, aiming to develop multi-target drugs that address complex mechanisms such as oxidative stress, neuroinflammation, and microbial resistance.

I’ve had the opportunity to collaborate internationally as a visiting Ph.D. student at Pablo de Olavide University (Spain) and the University of Patras (Greece), and have published multiple papers in computational and medicinal chemistry.

Open to collaborations — let’s connect! 🚀

Recent Publications
Conferences