Much of the action inside cells is done via proteins. It's taken a huge amount of distributed computing power just to figure out a reasonable hypothesis for how they fold (only one part of the movement) and €1.22 billion to build the XFEL and have a way to image them on the required timescales: 1-2 femtoseconds. 0.000000000000001 seconds. 0.01 seconds is an eternity, calculating that long would take an utterly enormous amount of computer time.

You can spend similar amounts of processing power (or vastly more) modeling a single atom over much shorter time scales from quantum mechanics. Protean folding while important results on fairly stable configurations and you don't need the same granularity after that point.

PS: Also of note protean folding simulations don't even simulate the water surrounding the protean and are again very simplified.