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    Assessment of a Novel Enhanced Sampling Method for Molecular Simulations of Peptide-membrane Interactions

    Tanner J 2020.pdf (1.896Mb)
    Access Status
    Open access
    Authors
    Tanner, John Douglas
    Date
    2020
    Supervisor
    Ricardo Mancera
    Evelyne Deplazes
    Type
    Thesis
    Award
    MRes
    
    Metadata
    Show full item record
    Faculty
    Health Sciences
    School
    School of Pharmacy and Biomedical Sciences
    URI
    http://hdl.handle.net/20.500.11937/81846
    Collection
    • Curtin Theses
    Abstract

    Gomesin is a spider-derived peptide with anti-microbial and anti-cancer properties which, like other such peptides, acts by permeabilising cell membranes. A new computer simulation approach was developed and tested to describe the interaction of Gomesin with model membranes. The findings will assist the future development of simulation methods to better understand in detail the molecular mechanism of action of Gomesin and related peptides.

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