Research Management System دانشگاه شهید مدنی آذربایجان | The Structure Study of the Water molecules in a Transmembrane Cyclic Peptide Nanotube : A Molecular Dynamics Simulation

Title	The Structure Study of the Water molecules in a Transmembrane Cyclic Peptide Nanotube : A Molecular Dynamics Simulation
Type of Research	Presentation
Keywords	Molecular Dynamics Simulation(MD)، Cyclic peptide nanotubes (PNTs) ،Glycine amino acids، Alanine amino acids
Abstract	In this study, molecular dynamics simulation was used to explore the structural characteristics and the transport performance of water molecules of cyclic peptide nanotubes (CPNTs). MD simulation was used to explain how the hydrophobic modification of functional group affects the structure, channel volume, interior affinity, and transportation behavior of water in CPNTs. Pressure-driven water flow through CPNTS Different sequences ranging from 10 to 50 nm is simulated. We show CPNTs modified by replacing LGlycine or D- Glycine groups with an L- Alanine or DAlanine has a negligible effect on the resulting mass flow rate.
Researchers	سمانه بارانی پور (First Researcher)، Jaber Jahanbin Sardroodi (Second Researcher)، Alireza Rastkar Ebrahim Zadeh (Third Researcher)

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