Title of article
On the definition and the construction of pockets in macromolecules Original Research Article
Author/Authors
Herbert Edelsbrunner، نويسنده , , Michael Facello، نويسنده , , Jie Liang، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
20
From page
83
To page
102
Abstract
The shape of a protein is important for its functions. This includes the location and size of identifiable regions in its complement space. We formally define pockets as regions in the complement with limited accessibility from the outside. Pockets can be efficiently constructed by an algorithm based on alpha complexes. The algorithm is implemented and applied to proteins with known three-dimensional conformations.
Keywords
Combinatorial geometry and topology , Algorithms , Molecular modeling , molecular biology , Space filling and solvent accessible models , Voronoi cells , Docking , Delaunay simplices , Alpha complexes
Journal title
Discrete Applied Mathematics
Serial Year
1998
Journal title
Discrete Applied Mathematics
Record number
884812
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