The point is to find the most likely way these proteins are folded, which is beyond our current problem-solving algorithms. The process of finding those unpredictable folds, while interesting (I hope they're collaborating with a psychologist who can get useful data from that information), is entirely beside the point. Which is good, because I strongly doubt a bunch of molecular biologists are going to want to come up with a study of human problem-solving that over a hundred years of looking into the matter hasn't tried yet (because if they were they'd be psychologists, not molecular biologists).