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Yassir B.
@yassir_b
Level 1
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. 25+ peer-reviewed publications in computational and medicinal chemistry.
I help researchers, students and biotech teams with molecular docking, virtual screening, MD simulations (GROMACS, AMBER, NAMD, OpenMM), binding free energy, DFT (ORCA, Quantum ESPRESSO), ADMET, machine learning/QSAR 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, MD simulations and virtual screening for drug discovery
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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.
Postdoctoral Researcher (Secondment)
Syngenta • Temps plein
Apr 2026 - Apr 2026 • 0 mos
Cheminformatics and graph neural networks for cross-species metabolism prediction.
Research Associate
Université Abdelmalek Essaâdi • Temps plein
Sep 2024 - Jul 2025 • 10 mos
Lectures, lab sessions and thesis supervision; research on neurodegenerative diseases and antimicrobial resistance.
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riyyaz_5
Pakistan
Collaboration en cours
Yassir did exceptional work on MD simulations for a Ligand-Protein System. He successfully completed 50ns simulations, exceeding my expectations with his expertise and professionalism. He demonstrated a deep understanding of MD Simulations, delivering high-quality results that met my research needs....
Utile?
e_ibrahim_j
Arabie Saoudite
He is really good and the work was great and very professional.. I got what I really need and more ..! I recommend him to anyone needs help in docking
Réponse du freelance
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riyyaz_5
Pakistan
Collaboration en cours
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matteobertelli
Italie
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riyyaz_5
Pakistan
Collaboration en cours
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