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Bc. David Porteš

Master's thesis

Amino acid type prediction problem in biological nuclear magnetic resonance

Amino acid type prediction problem in biological nuclear magnetic resonance
Abstract:
NMR spektroskopie je metoda používaná k určení struktury proteinů. Použití této metody je bohužel velmi pracné a časově náročné, protože je třeba přiřadit co nejvíce peaku v NMR spektru k jejich atomům v molekule proteinu. Tento proces, zvaný "Chemical shift assignment", nebo též "přiřazování chemických posuvů", je stále prováděn ručně nebo pomocí semi-supervised metod. Existují sice softwarové balíky …more
Abstract:
NMR spectroscopy is a method used to determine the three-dimensional structures of proteins. Unfortunately, using this method is very laborious and time-consuming, because it involves tracing all peaks in an NMR spectrum to their atoms in the protein. This process, called chemical shift assignment, is still mostly the domain of human experts, who conduct it manually or with the use of semi-supervised …more
 

Keywords

Machine learning NMR spectroscopy Nuclear Magnetic Resonance Chemical shift assignment Protein structure determination HCNH NOESY HCNH TOCSY
 
Language used: English
Date on which the thesis was submitted / produced: 17. 5. 2022
Identifier: https://is.muni.cz/th/dh64v/

Thesis defence

  • Date of defence: 21. 6. 2022
  • Supervisor: doc. RNDr. Tomáš Brázdil, Ph.D.
  • Reader: Mgr. Aleš Křenek, Ph.D.

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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

Master programme / field:
Informatics / Computer Graphics

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