Mgr. Petr Medek

Doctoral thesis

Computation of channels in protein molecules

Computation of channels in protein molecules
Abstract:
Dlouhodobý biochemický výzkum vlastností molekul proteinů vedl ke zjištění, že schopnost proteinu reagovat se svým okolím úzce souvisí s existencí dutin spojujících důležitou část uvnitř proteinu (aktivní místo) s povrchem proteinu. Tato dizertační práci představuje algoritmus pro geometrickou analýzu takovýchto dutin, zvaných tunely. Ve srovnání s ostatními metodami pro počítaní tunelů je navržený …more
Abstract:
Long-term biochemical research into the properties of protein molecules indicated that the reactivity of a protein is closely related to the existence of cavities connecting an important part inside the protein, the active site, with the surface of the molecule. This thesis presents an algorithm for geometrical analysis of such cavities, called channels. In comparison with other approaches to the channel …more
 

Keywords

protein channel Voronoi diagram Delaunay triangulation molecular dynamics
 
Language used: English
Date on which the thesis was submitted / produced: 10. 2. 2010
Identifier: https://is.muni.cz/th/yzbhb/

Thesis defence

  • Date of defence: 27. 5. 2010
  • Supervisor: prof. Ing. Jiří Sochor, CSc.
  • Reader: doc. Dr. Ing. Ivana Kolingerová, Mgr. Alexej Kolcun, CSc.

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Institution archiving the thesis and making it accessible: Masarykova univerzita, Fakulta informatiky
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Masaryk University

Faculty of Informatics

Doctoral programme / field:
Informatics (4-years) / Informatics

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