Persistent homology analysis of protein structure, flexibility, and folding

• Published in: International journal for numerical methods in biomedical engineering Vol. 30; no. 8; pp. 814 - 844
• Main Authors: Xia, Kelin, Wei, Guo-Wei
• Format: Journal Article
• Language: English
• Published: England Blackwell Publishing Ltd 01.08.2014; Wiley Subscription Services, Inc
• Subjects: Algorithms; computational topology; Fullerenes - chemistry; Models, Molecular; Molecular Dynamics Simulation; molecular topological fingerprint; persistent homology; Protein Folding; Protein Structure, Secondary; protein topological evolution; protein topology-function relationship; Structural Homology, Protein; Thermodynamics; protein topological evolution; protein topology-function relationship; molecular topological fingerprint; computational topology; persistent homology

SUMMARYProteins are the most important biomolecules for living organisms. The understanding of protein structure, function, dynamics, and transport is one of the most challenging tasks in biological science. In the present work, persistent homology is, for the first time, introduced for extracting m...