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Yassir B.
@yassir_b
PhD Scientist in Docking, MD, DFT and AI for Drug Discovery
Espagne
Arabe, Anglais, Français
À propos de moi
PhD in Computational Drug Discovery and Postdoctoral Researcher at Universitat Autònoma de Barcelona, working on AI-driven metabolism prediction in an industry collaboration with Syngenta. 5+ years of research and peer-reviewed publications in computational and medicinal chemistry.
I help researchers, students and biotech teams with molecular docking, virtual screening, MD simulations (GROMACS), DFT (ORCA, Quantum ESPRESSO), ADMET, machine learning and network pharmacology, delivered as clear reports with publication-ready figures.
Compétences
Yassir B.
hors ligne •
Temps de réponse moyen de 1 heure
Voir mes services
Conseil en science des données
I will do molecular docking, ml, dft, and MD simulations
Expérience professionnelle
Postdoctoral Researcher, Computational Chemistry
Universitat Autònoma de Barcelona • Temps plein
Sep 2025 - Present • 1 yr 1 mo
AI- and physics-based prediction of cross-species P450 metabolism in an industry collaboration with Syngenta. I combine deep learning for molecular property prediction with docking, enhanced-sampling MD and free-energy calculations to support the design of safer compounds.
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