2014 | OriginalPaper | Buchkapitel
Structure-Based Analysis of Protein Binding Pockets Using Von Neumann Entropy
verfasst von : Negin Forouzesh, Mohammad Reza Kazemi, Ali Mohades
Erschienen in: Bioinformatics Research and Applications
Verlag: Springer International Publishing
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Protein binding sites are regions where interactions between a protein and ligand take place. Identification of binding sites is a functional issue especially in structure-based drug design. This paper aims to present a novel feature of protein binding pockets based on the complexity of corresponding weighted Delaunay triangulation. The results demonstrate that candidate binding pockets obtain less relative Von Neumann entropy which means more random scattering of voids inside them.