Persistent homology analysis of protein structure, flexibility, and folding

  title={Persistent homology analysis of protein structure, flexibility, and folding},
  author={Kelin Xia and Guowei Wei},
  journal={International Journal for Numerical Methods in Biomedical Engineering},
  • Kelin Xia, G. Wei
  • Published 1 August 2014
  • Biology
  • International Journal for Numerical Methods in Biomedical Engineering
Proteins 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 molecular topological fingerprints (MTFs) based on the persistence of molecular topological invariants. MTFs are utilized for protein characterization, identification, and classification. The method of… 

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