Predicting Protein Folding Pathways

Summary

A structured folding pathway, which is a time-ordered sequence of folding events, plays an important role in the protein folding process and hence in the conformational search. Pathway prediction thus gives more insight into the folding process and is a valuable guiding tool for searching the conformation space. In this chapter, we propose a novel “unfolding” approach for predicting the folding pathway. We apply graph-based methods on a weighted secondary structure graph of a protein to predict the sequence of unfolding events. When viewed in reverse, this process yields the folding pathway. We demonstrate the success of our approach on several proteins whose pathway is partially known.

Keywords

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