Modelling is an extremely powerful aspect of every iGEM project. Models can verify a teams knowledge of their system, and they can also be integral to a projects overall design. We decided early on that for our system to be successful we would have to integrate modelling into the design of every facet of our project. This included the dynamic understanding of our chlorophyll binding protein(6GIX), the informed engineering of 6GIX, the characterization and optimization of our emulsion systems, and the development of the Icarus spacer.

To ensure that we fully utilize the models we generate, a standardized modelling workflow was developed. This workflow was designed to confirm that the models generated actually have a tangible integration into the wetlab portion of the project. Along with the integration into the wetlab, this workflow also allowed for us to take advantage of the wetlabs experience and knowledge at multiple stages. Below is a diagram that illustrates our workflow.

This workflow ensured that as we developed models we did not lose sight of the main goal behind these models. Ultimately each modelling component was generated to impact and integrate into the final project. Along with keeping each model focused on integration, the inclusion of our wetlab at multiple steps allowed the team to build familiarity and confidence in the developed model.

An examplar of this workflow is the Emulsion Construction Prediction model. Problems in predicting emulsion behaviour in silico led to wet lab data collection to then feed the model. Using the model we could then collect more data in the wet lab, and this cycle was iterated thoroughly. This model was invaluable in demonstrating our protein's function in emulsions.

ICARUS - Pheophorbide Production

iGEM Calgary Augmented Repulsion Universal Spacer:
A spacer to his-purify proteins.

Emulsion Construction Prediction - Emulsified Proteins

Using machine learning to predict phase of an emulsion at any composition.

Directed Protein Structure Modification - ModGIX

Using in silico dynamic simulations to perform informed modifications of amino acids in proteins.

In Silico Emulsion System Verification - 6GIX

Verifying emulsified protein function and structure stability in antagonistic solvents.