Simulation of millisecond protein folding: NTL9 (from Folding@home)
Simulating protein folding on the millisecond timescale has been a major challenge for many years. In one work, Folding@home researchers Vincent Voelz, Greg Bowman, Kyle Beauchamp, and Vijay Pande broke this barrier, folding the protein NTL9. This is a movie of one of the trajectories that folded (i.e. started unfolded and ended up in the folded state). From simulations like these, we have found some new surprises in how proteins fold.
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To learn more about this work check out the following publication: https://pubs.acs.org/doi/abs/10.1021/...