[dekhn]

It's still unclear to me that using QM to simulate protein folding or enzymatic activity is a worthwhile endeavor. Even highly approximate QM methods don't seem significantly better than classical force fields for recapitulating folding dynamics, and the actual amount of computational effort required would be astronomical. I would recommend against it simply because we know of better, more economical methods, to get at solutions we need.

[loa_in_]

QM give a lot of important solutions that are real that simpler models miss. But nature is of course unrestricted