Pocket recognition on a protein using euclidean voronoi diagram of atoms

Authors:
Deok-Soo Kim;Cheol-Hyung Cho;Youngsong Cho;Chung In Won;Donguk Kim
Affiliations:
Department of Industrial Engineering, Hanyang University, Seoul, South Korea;Department of Industrial Engineering, Hanyang University, Seoul, South Korea;Voronoi Diagram Research Center, Seoul, South Korea;Voronoi Diagram Research Center, Seoul, South Korea;Voronoi Diagram Research Center, Seoul, South Korea
Venue:
ICCSA'05 Proceedings of the 2005 international conference on Computational Science and its Applications - Volume Part I
Year:
2005

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Abstract

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.