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Job Title: Scientist(Multiscale Simulation, Modelling and Design), A*STAR BII

19/3/2026

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Job Title: Scientist(Multiscale Simulation, Modelling and Design), A*STAR BII
Hiring Company: The postdoctoral researcher will contribute to computational structural biology and molecular simulation studies aimed at understanding biomolecular structure, dynamics, mechanisms, and ligand interactions in therapeutically relevant systems. The position will support research within an industry collaboration focused on structure-based drug discovery, applying advanced molecular dynamics and modelling approaches to study membrane proteins and receptor-ligand interactions.
Learn more about the company here 
Job location: Matrix, Singapore
Requirements:
  • PhD in computational chemistry, computational biophysics, or a related field.
  • Experience applying molecular simulation approaches in industry collaborations or translational research environments an added advantage.
  • Experience modelling membrane proteins or receptor?ligand systems relevant to drug discovery an added advantage.
  • Strong experience in molecular dynamics simulations and multiscale modelling of biomolecular systems.
  • Experience studying membrane proteins and protein-ligand interactions using computational modelling approaches.
  • Experience with free-energy calculations and/or enhanced sampling techniques.
  • Experience analysing large-scale molecular simulation datasets.
  • Experience with Python or other scripting tools for workflow automation and analysis of simulation data.
  • Experience working in collaborative or industry-linked research environments.
  • Ability to work independently while contributing effectively to interdisciplinary research teams.
  • Strong scientific communication skills and publication record.
 
To learn more and apply to the role, kindly click here 
 
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