Theoretical modelling of chemical systems gives us insight into why processes occur or do not occur enabling us to improve the performance of an enzyme or catalyst.  

Martin Karplus, Nobel Prize for Chemistry 2013

Theoretical and computational modelling and simulation is becoming an increasingly important tool in scientific research. On the one hand, sophisticated models can help scientists to predict the outcome of experiments, and hence help decide what experiments are most likely to provide useful outcomes. On the other hand, they can also be used as powerful methods for interpreting the results of experiments.

BrisSynBio is building on the existing close relationships between modelling and experimental groups by providing an interface across the scales of modelling that are addressed by different modelling research groups at Bristol. In this way, experimental researchers can readily collaborate with the appropriate modelling group for the scale of problem they are addressing.

We use techniques ranging from: molecular models of protein dynamics and ligand binding to quantum mechanical modelling of biochemical reactions; ‘coarse-grained’ models for modelling protein-protein, protein-DNA association and biological membranes through to mathematical models of biological systems. These contribute to the design and development of proteins and systems for synthetic biology across BrisSynBio.