A new way to recognize downhill folding based on generalized path length

Author:

Jiang Xuewei1ORCID,Wu Zhengwu2,Fan Zhenyuan1,Yin Junhua1,Zheng Lu1

Affiliation:

1. Wuhan Textile and Apparel Digital Engineering Technology Research Center, Wuhan Textile University, Wuhan, Hubei 430073, P. R. China

2. School of Computer Science, Wuhan University, Wuhan, Hubei 430072, P. R. China

Abstract

The protein folding is an important scientific problem and many methods were designed to elucidate the protein folding and obtain insight into the molecular mechanism. A novel means is presented to identify the downhill pathways of protein folding in this paper. This method is based on barrier energy profile projected onto the generalized path length (GPL) with Breadth-first searching (BFS) algorithm. We show the effectiveness of this approach by constructing the barrier energy profile of trpzip2 and comparing with other methods.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

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