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Yassir B.
@yassir_b
PhD Scientist in Docking, MD, DFT and AI for Drug Discovery
España
Árabe, Inglés, Francés
Sobre mí
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.
desconectado •
Tiempo medio de respuesta: 1 hora
Revisa mis servicios
Consulta de ciencia de Datos
I will do molecular docking, ml, dft, and MD simulations
Experiencia laboral
Postdoctoral Researcher, Computational Chemistry
Universitat Autònoma de Barcelona • Tiempo completo
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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