Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations

@inproceedings{Kenn2014FindingSD,
  title={Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations},
  author={Michael Kenn and Reiner Ribarics and Nevena Ilieva and Wolfgang Schreiner},
  booktitle={BioMed research international},
  year={2014}
}
Dynamic variations in the distances between pairs of atoms are used for clustering subdomains of biomolecules. We draw on a well-known target function for clustering and first show mathematically that the assignment of atoms to clusters has to be crisp, not fuzzy, as hitherto assumed. This reduces the computational load of clustering drastically, and we demonstrate results for several biomolecules relevant in immunoinformatics. Results are evaluated regarding the number of clusters, cluster… CONTINUE READING