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Article Dans Une Revue Bioinformatics Année : 2005

Voro3D: 3D Voronoi tessellations applied to protein structures.

Résumé

Voro3D is an original easy-to-use tool, which provides a brand new point of view on protein structures through the three-dimensional (3D) Voronoi tessellations. To construct the Voronoi cells associated with each amino acid by a number of different tessellation methods, Voro3D uses a protein structure file in the PDB format as an input. After calculation, different structural properties of interest like secondary structures assignment, environment accessibility and exact contact matrices can be derived without any geometrical cut-off. Voro3D provides also a visualization of these tessellations superimposed on the associated protein structure, from which it is possible to model a polygonal protein surface using a model solvent or to quantify, for instance, the contact areas between a protein and a ligand.

Domaines

Minéralogie

Dates et versions

hal-00021968 , version 1 (30-03-2006)

Identifiants

Citer

Franck Dupuis, Jean-François Sadoc, Rémi Jullien, Borislav Angelov, Jean-Paul Mornon. Voro3D: 3D Voronoi tessellations applied to protein structures.. Bioinformatics, 2005, 21, pp.1715-1716. ⟨10.1093/bioinformatics/bth365⟩. ⟨hal-00021968⟩
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