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Yassir B.
@yassir_b
PhD Scientist in Docking, MD, DFT and AI for Drug Discovery
Espanha
Árabe, Inglês, Francês
Sobre mim
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.
Habilidades
Yassir B.
offline •
Tempo médio de resposta: 1 hora
Conheça meus serviços
Consulta de ciência de dados
I will do molecular docking, ml, dft, and MD simulations
Experiência profissional
Postdoctoral Researcher, Computational Chemistry
Universitat Autònoma de Barcelona • Período integral
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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