Pocket Recognition on a Protein Using Euclidean Voronoi Diagram of Atoms

Proteins consist of atoms. Given a protein, the automatic recognition of depressed regions, called pockets, on the surface of the protein is important for protein-ligand docking and facilitates fast development of new drugs. Recently, computational approaches for the recognition of pockets have emer...

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Hauptverfasser: Kim, Deok-Soo, Cho, Cheol-Hyung, Cho, Youngsong, Won, Chung In, Kim, Donguk
Format: Tagungsbericht
Sprache:eng
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Zusammenfassung:Proteins consist of atoms. Given a protein, the automatic recognition of depressed regions, called pockets, on the surface of the protein is important for protein-ligand docking and facilitates fast development of new drugs. Recently, computational approaches for the recognition of pockets have emerged. Presented in this paper is a geometric method for the pocket recognition based on Voronoi diagram for atoms in Euclidean distance metric.
ISSN:0302-9743
1611-3349
DOI:10.1007/11424758_73