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  • Structural and Dynamic Features of Interaction Between Alpha-Helical Transmembrane Peptides and Lipid Environment (According to Data Given by Molecular Modelling Method)

Student
Title
Supervisor
Faculty
Educational Programme
Final Grade
Year of Graduation
Kirill Smirnov
Structural and Dynamic Features of Interaction Between Alpha-Helical Transmembrane Peptides and Lipid Environment (According to Data Given by Molecular Modelling Method)
Applied Informatics
(Bachelor’s programme)
9
2017
Neuraminidase-1 is a lysosomal glycohydrolytic enzyme present in almost all vertebrate tissues. Dysfunction of neuraminidase-1 is directly related to serious neurodegenerative genetic diseases. Recent research has shown that neuraminidase-1 has a specific membrane-bound form and reveals three potential transmembrane regions.

This work is a complex study of the behavior of one of the predicted transmembrane domain of neuraminidase-1 in the lipid bilayer using molecular dynamics (MD) method. The goal is to analyze interactions between transmembrane peptide and its lipid environment. In this work, three 500-ns MD trajectories of the peptide incorporated into the hydrated lipid bilayer were obtained and analyzed. As a result, stability of the peptide alpha-helix conformation was demonstrated and the peptide-lipid interaction sites were found and characterized.

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