However, as particles start moving around faster and faster, the distance they can travel in one time step increases, and the neighborhood of effect increases, limiting the speedup of this optimization. This matters less in larger scale simulations like of weather patterns, because you don't have to worry about air molecules zipping to the other side of the continent in one second. But it matters a lot in small scale simulations, especially in cells. As an example, an average glucose molecule in one of your cells is bouncing around at around 250 miles per hour! That's not 250 miles when scaled up, that's really 250 miles per hour. A molecule in your body is colliding with another billions of times every second. (Source: http://www.righto.com/2011/07/cells-are-very-fast-and-crowde...). At that scale and that level of activity it becomes much harder to simulate each time step.
PS: Also of note protean folding simulations don't even simulate the water surrounding the protean and are again very simplified.
Unfortunately, a useful cell simulation would be far more complex than simple particle collisions and a much shorter step size. But, that's not to say different kinds of simulations can't be useful. And ASIC's or general improvement in computing power can also boost things.
https://www.youtube.com/watch?v=B8mP9E75D08