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Influence of phosphorylation on the conformation of peptides and proteins Jurásková, Veronika ; Vondrášek, Jiří (advisor) ; Berka, Karel (referee) Title: Influence of phosphorylation on the conformation of peptides and proteins Author: Ing. Veronika Jurásková Department: Department of Physical and Macromolecular Chemistry Supervisor: RNDr. Jiří Vondrášek, CSc. Consultant: Mgr. Jiří Vymětal, PhD. Abstract: The aim of the thesis was to study the effect of phosphorylation on the conformation of peptides and proteins. I focused on three amino acids which are phos- phorylated the most - serine, threonine and tyrosine. I studied the conformational changes upon phosphorylation in dipeptides and pentapeptides by the metadynamics technique. I found out that the phosphorylation of amino acid residues led to the conformational changes characteristic for each amino acid. Whereas the phosphoryla- tion of serine increased the preference of right-handed alpha helix conformation, the phosphorylation of threonine led to the extended structure and the conformation of tyrosine was not influenced by phosphorylation at all. Using classical molecular dy- namics, I also studied the conformational changes in longer peptides derived from the phosphorylation sites of disordered proteins. Moreover, I simulated phosphorylated and unphosphorylated variants of three proteins with a known structure from the RCSB PDB database. I compared the calculated results with available... Detailed record

See also: similar author names
1	Jurášková, V.
2	Jurášková, Věra

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