Integration of protein dynamics in Deep Generative models for accelerating protein design (Deep design)

Integration of protein dynamics in Deep Generative models for accelerating protein design (Deep design)

Proteins are the machines of life controlling the majority of biological and biotechnological processes. Emulating nature’s ability to create tailor-made molecules, in the laboratory would be transformational to the way we live: e.g. via ‘green’ chemistry production lines and biomedicine

The overarching objectives of DEEP-tailor are: firstly to elicit a detailed understanding of the role of dynamics on protein function using biophysical and single molecule assays and secondly, to harvest and integrate these insights in Deep generating models using principled Bayesian optimization procedure to reflect both observations with low-cost and high-cost experiments, and their interplay.

We anticipate our results will set the blueprint for future protein engineering technologies for biomedical and green chemistry and applications contributing to the Danish Green chemistry initiative.