Multiple Graph Alignment for the Structural Analysis of Protein Active Sites

Graphs are frequently used to describe the geometry and also the physicochemical composition of protein active sites. Here, the concept of graph alignment as a novel method for the structural analysis of protein binding pockets is presented. Using inexact graph-matching techniques, one is able to id...

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Veröffentlicht in:	IEEE/ACM transactions on computational biology and bioinformatics 2007-04, Vol.4 (2), p.310-320
Hauptverfasser:	Weskamp, Nils, Hullermeier, Eyke, Kuhn, Daniel, Klebe, Gerhard
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithm design and analysis Algorithms Amino Acid Sequence Amino acids Binding Sites Data mining DNA Drug Design Drugs Enzyme Activation fuzzy patterns Geometry graph mining Knowledge discovery in databases Molecular Sequence Data Protein Binding Protein Interaction Mapping - methods Proteins Proteins - chemistry Proteins - classification Sequence Alignment - methods Sequence Analysis, Protein - methods Sequences Shape Spatial databases structural pattern discovery
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