Computer simulations of the folding mechanism of the GCN4 Leucine zipper

ORAL

Abstract

A modified three dimensional lattice model incorporating a Monte Carlo Metropolis Algorithm is used to investigate the dimerization of the GCN4 Leucine zipper. The model is validated with heat capacity calculations that are seen to match well with experiment measurements. The free energy landscape is investigated as a function of temperature. Evidence of multiple meta-stable states is found during the simulation. The possible folding and dimerization mechanism of the Leucine zipper will be discussed.

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Authors

  • Yanxin Liu

    Department of Physics, Florida International University, University Park, Miami, FL 33199

  • Prem Chapagain

    Department of Physics, Florida International University, University Park, Miami, FL 33199

  • Jose Parra

    Department of Physics, Florida International University, University Park, Miami, FL 33199

  • Bernard Gerstman

    Department of Physics, Florida International University, University Park, Miami, FL 33199