Assessment of a Novel Enhanced Sampling Method for Molecular Simulations of Peptide-membrane Interactions
Access Status
Open access
Authors
Tanner, John Douglas
Date
2020Supervisor
Ricardo Mancera
Evelyne Deplazes
Type
Thesis
Award
MRes
Metadata
Show full item recordFaculty
Health Sciences
School
School of Pharmacy and Biomedical Sciences
Collection
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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