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)