Research Support Centre
Technology Platforms

Multiscale Simulation, Modelling and Design by Bioinformatics Institute (BII)


The “multiscale simulation, integrative modelling, and design” platform focuses on applying our established state-of-the-art computational methods to model the structures and dynamics of biomolecular complexes, as well as discovery of novel chemical biology probes and therapeutics.
  • Integrative modelling incorporating diverse biochemical / structural / bioinformatics data.

  • Multiscale simulations to predict functional dynamics and assembly / binding processes.

  • Molecular design of probes / therapeutics.






  • Membrane assembly, receptors.

  • Antibody complex assemblies.

  • Anti-bacterial and anti-sepsis molecules.

  • Virion particles and viral envelopes.

  • Example applications include:

    • Curr. Opin. Struct. Biol. 61:146-52 (2020)

    • Science Transl. Med. 11:eaat7726 (2019)

    • Nature Commun. 9:2762 (2018)

    • Cell Metab. 27:1096-110.e5 (2018)

    • Elife. 7:e31377 (2018)