Protein Folding—Simulation.

The article presents the molecular dynamics (MD) simulations of proteins in solution to examine the detailed processes of protein unfolding in the atomic-level. It is likewise employed to elucidate the kinetic pathways and these simulations are performed at high temperature to overcome energetic barriers to unfolding. The understanding of protein folding/unfolding is relevant for biological processes like aging, human diseases, protein degradation and protein translocation.