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Yassir B.
@yassir_b
Level 1
PhD Scientist in Docking, MD, DFT and AI for Drug Discovery
Spain
Arabic, English, French
About me
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.
Skills
Yassir B.
Offline •
Average response time: 1 hour
See my services
Data Science Consultation
I will do molecular docking, MD simulations and virtual screening for drug discovery
Portfolio
Work experience
Postdoctoral Researcher, Computational Chemistry
Universitat Autònoma de Barcelona • Full-time
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 • Full-time
Apr 2026 - Apr 2026 • 0 mos
Cheminformatics and graph neural networks for cross-species metabolism prediction.
Research Associate
Université Abdelmalek Essaâdi • Full-time
Sep 2024 - Jul 2025 • 10 mos
Lectures, lab sessions and thesis supervision; research on neurodegenerative diseases and antimicrobial resistance.
9 Reviews
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1-5 out of 9 Reviews
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riyyaz_5
Pakistan
Ongoing collaboration
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....
Helpful?
e_ibrahim_j
Saudi Arabia
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
Seller's Response
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riyyaz_5
Pakistan
Ongoing collaboration
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matteobertelli
Italy
Ongoing collaboration
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riyyaz_5
Pakistan
Ongoing collaboration
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