Computational Chemistry & Biophysics @ UOW
Research in our group is focused on developing and applying theoretical and computational tools to understand the structure-dynamics-function relationship in complex (bio)molecular and nanoscale systems. Complementary to experimental investigations, such studies can gain new insights at the atomic level into the underlying mechanism and provide necessary knowledge for molecular engineering and discovery of novel therapeutics.
Our current specific research areas include:
Multiscale modelling techniques to study the structure, dynamics and functions of biomolecules with a focus on how enzymes (biocatalysis) work. Read more →
in silico screening, structure-based drug design, and binding free energy calculations to support drug discovery and design. Read more →
The Yu Research Group is part of the School of Chemistry and Molecular Bioscience at the University of Wollongong, Australia. We are also affiliated with the Molecular Horizons and the Illawarra Health and Medical Research Institute at UOW.