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Title 

Pocket extraction on proteins via the Voronoi diagram of spheres

Authors 

D KimC H ChoY ChoJ RyuJong BhakD S Kim

Publisher 

Elsevier

Issue Date 

2008

Citation 

Journal of Molecular Graphics & Modelling, vol. 26, no. 7, pp. 1104-1112

Keywords 

binding siteblending meshdockingpocketproteinprotein surfacevoronoi diagram of atomsspherespocket recognitionvoronoi diagram

Abstract 

Proteins consist of atoms. Given a protein, the automatic recognition of depressed regions, called pockets, on the surface of proteins is important for protein-ligand docking and facilitates fast development of new drugs. Recently, computational approaches have emerged for recognizing pockets from the geometrical point of view. Presented in this paper is a geometric method for the pocket recognition which is based on the Voronoi diagram for atoms. Given a Voronoi diagram, the proposed algorithm transforms the atomic structure to meshes which contain the information of the proximity among atoms, and then recognizes depressions on the surface of a protein using the meshes.

ISSN 

1093-3263

Link 

http://dx.doi.org/10.1016/j.jmgm.2007.10.002

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2019-05-02


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