Although proteins are composed out of only a small number of distinct amino acids, this deceptive simplicity quickly vanishes when considering the many possible sequences across a protein, not to mention the many ways in which a single 1D protein sequence can fold into a 3D protein shape with a specific functionality. Although natural evolution has done much of the legwork here already, figuring out new sequences and their functionality is a daunting task where increasingly deep learning algorithms are being applied. As [Bo Ni] and colleagues report in a research article in Science Advances, the hardest challenge is designing a protein sequence based on the desired functionality. They then demonstrate a way to use a generative model to speed up this process.
This is a companion discussion topic for the original entry at https://hackaday.com/2024/02/19/forcegen-using-a-diffusion-model-to-help-design-novel-proteins/