"Protein folding / structure prediction is NP-complete, so seems unlikely."
Are you sure about that? I am not sure that a protein structure can be checked in polynomial time, given there is no algorithm to check a protein structure besides manual labor.
You can compute the free energy but that's not cheap. Still that doesn't give you a definitive answer to folded or not folded. It tells you more folded or less folded.
Are you sure about that? I am not sure that a protein structure can be checked in polynomial time, given there is no algorithm to check a protein structure besides manual labor.