Abstract:Abstract-Understanding protein folding and unfolding mechanisms are a central problem in molecular biology. Data obtained from molecular dynamics unfolding simulations may provide valuable insights for a better understanding of these mechanisms. Here, we propose the application of an augmented version of hierarchical clustering analysis to detect clusters of aminoacid residues with similar bahavior. These clusters hold similar global pattern behavior of solvent accessible surface area (SASA) variation in unfol… Show more
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