Bc. Michaela Melíková

Master's thesis

Molekulárně dynamické simulace receptorů spřažených s G proteinem v počítačovém návrhu léčiv

Molecular dynamics simulations of G protein-coupled receptors in computer-aided drug design
Abstract:
The thesis aims to present the problems of molecular dynamics simulations of G protein-coupled receptors (GPCRs) in the context of computer-aided drug design. Difficult path providing an insight into thermodynamic properties of GPCRs and their modulators is demonstrated herein by an example of analyzing human orexin receptor 2 using high-performance computing methods (HPC).
 

Keywords

Receptory spřažené s G proteinem Orexinový receptor 2 Molekulárně dynamické simulace Počítačový návrh léčiv Dokování

Keywords

G protein-coupled receptors Orexin receptor 2 Molecular dynamics simulation Computer-aided drug design Docking
 
Language used: English
Date on which the thesis was submitted / produced: 18. 7. 2018
Identifier: http://evskp.uhk.cz/eM5469

Thesis defence

  • Date of defence: 22. 8. 2018
  • Supervisor: Mgr. et Mgr. Rafael Doležal, Ph.D.
  • Reader: doc. PharmDr. Kamil Musílek, Ph.D.

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