Data mining: concepts and techniques
Data mining: concepts and techniques
Multidimensional binary search trees used for associative searching
Communications of the ACM
Introduction to Algorithms
Matching Theory (North-Holland mathematics studies)
Matching Theory (North-Holland mathematics studies)
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The Protein Data Bank (PDB) is one of the richest sources of structural biological information in the World. It started to exist as the computer-readable depository of crystallographic data complementing printed papers. The proper interpretation of the content of the individual files in the PDB still needs the detailed information found in the citing publication. An advanced graph theoretical method is presented here for automatically repairing, re-organising and re-structuring PDB data yielding the identification of all the protein-ligand complexes and all the binding sites in the PDB. As an application, we identified strong cysteine and tryptophan irregularities in the data.