Metropolis Monte Carlo Simulations of Fast-Folding Peptides
Published: 15 November 2016| Version 1 | DOI: 10.17632/yrz2f45chv.1
Contributor:
Edoardo PaluanDescription
The aim of this experiment is to investigate the folding of small peptides (10 amino acids and 20 amino acids) from a denatured configuration to its equilibrium configuration. In doing so, we will utilise Metropolis Monte Carlo simulations with a variety of different moves in order to determine the minimum energy structure of these peptides. Additionally, we will utilise an united atom force field which utilizes an implicit representation of the water which hydrates the peptides.
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Categories
Amino Acids, Peptides, Monte Carlo Molecular Modeling, Monte Carlo Simulation