Comparison of protein structures by multi-objective optimization

Genome Inform. 2005;16(2):114-24.

Abstract

We propose a novel method for solving the structure comparison problem for proteins, based on a decomposition technique. We define the structure alignment as a multi-objective optimization problem with both discrete and continuous variables, i.e., maximizing the number of aligned atoms and minimizing their root mean square distance. By controlling a single distance-related parameter, theoretically we can obtain a variety of optimal alignments corresponding to different optimal matching patterns, i.e., from a large matching portion to a small portion. The number of variables in our algorithm increases with the number of atoms of protein pairs in almost a linear manner. The software is available upon request, or from http://zhangroup.aporc.org/bioinfo/samo/.

Publication types

  • Comparative Study

MeSH terms

  • Algorithms
  • Computational Biology / methods*
  • Sequence Alignment / methods*
  • Structural Homology, Protein*