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University of Central Florida

HIM 1990-2015

Theses/Dissertations

Hiv; hiv 1 capsid protein; molecular dynamics; monte carlo

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Coarse Grained Monte Carlo Simulation Of The Self-Assembly Of The Hiv-1 Capsid Protein, Jeffrey Weber May 2014

Coarse Grained Monte Carlo Simulation Of The Self-Assembly Of The Hiv-1 Capsid Protein, Jeffrey Weber

HIM 1990-2015

In this study, a Monte Carlo simulation was designed to observe the self-assembly of the HIV-1 capsid protein. The simulation allowed a coarse grained model of the capsid protein with defined interaction sites to move freely in three dimensions using the Metropolis criterion. Observations were made as to which parameters affected the assembly the process. The ways in which the assembly were affected were also noted. It was found that proper dimerization of the capsid protein was necessary in order for the lattice to form properly. It was also found that a strong trimeric interface could be responsible for double-layered …