I think it's still an open question whether you truly need an ensemble of long simulations (versus many shorter ones that can be generated in embarassingly parallel mode on GPUs).
Nonetheless, I'm thankful for both DESMOND and Anton, which helped push the MD community out of its moribund state in the early 2000s. I still don't think MD simulations produce anything that exceeds the opportunity value of the power they consume, and it seems unclear that they ever will, although I still would love to know the answer to the question: "could sophisticated classic forcefields with reasonable O(nlogn) scaling every be truly valuable as a virtual screening feature generator/evaluation mechanism".
Nonetheless, I'm thankful for both DESMOND and Anton, which helped push the MD community out of its moribund state in the early 2000s. I still don't think MD simulations produce anything that exceeds the opportunity value of the power they consume, and it seems unclear that they ever will, although I still would love to know the answer to the question: "could sophisticated classic forcefields with reasonable O(nlogn) scaling every be truly valuable as a virtual screening feature generator/evaluation mechanism".