That is actually one of the "classic" ways of doing it. There's a bunch of different Bayesian models for protein structure - as an example, I implemented a mode

That is actually one of the "classic" ways of doing it. There's a bunch of different Bayesian models for protein structure - as an example, I implemented a model for structural changes in evolution for my master's thesis The big challenge for these kind of models is the curse of dimensionality. Since every atom in the structure can potentially interact with every other atom, it's tricky to make a joint distribution for the entire sequence and it's rare to have a model that's both accurate and parallelizable, so the field hasn't benefitted much from the advances in for instance GPU computing