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Tessellations de Voronoï appliquées aux structures protéiques

Abstract : A Voronoï tessellation is a mean to divide the space into regions that are associated with each element of a set of points in order to characterise their topological relations. A polyhedron (Voronoï cell) is associated to each of the element of the set. This cell is defined by the intersections of contact plans build midway between the points. Each cell contains the closest neighbourhood of its associated point and its faces define contacts with its closest neighbours. For a given set of points, the Voronoï decomposition is unique and absolute since there are no empty spaces between cells. The cells characteristics such as the number of faces, the volume etc. are relevant to study the points organisation in three-dimensional space. For proteic structures two investigation scales can be studied. The atomic level which is the most represented in the literature associates each cell with each atom or atoms group of the structure. The second level associates one cell with one amino acid. Each residue is represented by a single point that can be a real atom (alpha carbon for instance) or a virtual point like the geometric centre of the amino acid. This work describes this scale of investigation theoretically and more practically in a chapter dealing with the cell properties. Two concrete applications are presented, the first one is a statistical study of the Nter/Cter extremities proximity, the second one is a secondary structures assignment method.
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Submitted on : Tuesday, May 11, 2004 - 4:02:04 PM
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  • HAL Id : tel-00006058, version 1

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Franck Dupuis. Tessellations de Voronoï appliquées aux structures protéiques. Biophysique [physics.bio-ph]. Université Paris-Diderot - Paris VII, 2003. Français. ⟨tel-00006058⟩

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