Why Did DeepMind Solve Protein Folding?
jakefeala.substack.com
jakefeala.substack.com
What it did was provide a perhaps better, perhaps more general structure generator than existing tools such as protein homology. Both, I think, rely on structural similarity as a means of guesstimating the structure of a new protein. No clue how any of these approaches would work with truly novel structures that are outside the training set.
A first principles approach would probably do better as the energetics of the structural motifs would be modeled properly.