Fast large-scale clustering of protein structures using Gauss integrals

@article{Harder2012FastLC,
  title={Fast large-scale clustering of protein structures using Gauss integrals},
  author={Tim Harder and Mikael Borg and Wouter Boomsma and Peter R{\o}gen and Thomas Hamelryck},
  journal={Bioinformatics},
  year={2012},
  volume={28 4},
  pages={
          510-5
        }
}
MOTIVATION Clustering protein structures is an important task in structural bioinformatics. De novo structure prediction, for example, often involves a clustering step for finding the best prediction. Other applications include assigning proteins to fold families and analyzing molecular dynamics trajectories. RESULTS We present Pleiades, a novel approach to clustering protein structures with a rigorous mathematical underpinning. The method approximates clustering based on the root mean square… CONTINUE READING

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