A protein's folding patterns help them perform their dedicated tasks. As the real "doers" of the cell, even a tiny alteration in a protein's amino acid backbone can cause misfolding and hinder the protein's functionality or cause disease.
For instance, if tau, a protein that helps stabilize the structure of brain cells, is misfolded, it can form tau-tangles, which are commonly seen in Alzheimer's patients. Scientists seek to better understand protein folding to cure misfolding diseases, but this incredibly complex process requires sophisticated algorithms to identify the folding mechanisms.
They have proposed a new way to identify the most crucial factors for protein folding. They demonstrated the short simulation time of their approach on a small but intriguing protein, GB1 beta-hairpin. The study was published in the Journal of Chemical Physics.