IRCCS San Raffaele Scientific Institute in Milan, Italy, is looking for a Post-Doctoral candidate to join in to the Biomolecular NMR Laboratory.
Main activities:
Virtual screening of small molecules using AI-based and physics-based methods.
Molecular docking, including diffusion-based generative models for complex prediction.
Molecular dynamics simulations to study structure, stability, and interactions.
Protein structure prediction and modeling.
Structure-based drug design (SBDD).
Integration of experimental data (cryo-EM, X-ray, NMR) to reconstruct large complexes.
Analysis of biomolecular interactions and simulation data.
Maintenance of Linux workstations and software installation, configuration, and updates.
Who we are looking for:
Highly motivated Computational Structural Biologist with a strong interdisciplinary background in biophysics, computational chemistry, or related quantitative sciences. Experienced in applying advanced computational methods to investigate biomolecular structure, dynamics, and interactions,



with a focus on structure-based drug discovery and integrative structural biology.
Proficient in Linux environments, including:
Maintenance of computational workstations.
Software installation, configuration, and updates.
Experience with scientific programming (e.g., Python, Bash).
Familiarity with HPC systems and computational workflow.
Technical Skills:
Proficient in Linux environments, including:
Maintenance of computational workstations
Software installation, configuration, and updates
Experience with scientific programming (e.g., Python, Bash)
Familiarity with HPC systems and computational workflows Qualifications include a Ph.D in Chemistry, Biochemistry, Physics, Pharmaceutical Chemistry and Technology, Engineering Physics.
Work details:
- Type of contract: co.co.co
- Duration: 1 year (renewable up to 3 years)
- Place of work:Milano Ospedale San Raffaele, Biomolecular NMR Laboratory
- Starting date: 1.October 2026
At San Raffaele Scientific I

📌 Post-doctoral Fellowship available for Computational Structural Biologist (Milano)
🏢 Ospedale San Raffaele
📍 Milano