TITLE:
Computer Simulation Study of Biopolymer Betanova
AUTHORS:
Seung-Yeon Kim
KEYWORDS:
Keywords Biopolymer, Protein, Monte Carlo Simulation
JOURNAL NAME:
Journal of Materials Science and Chemical Engineering,
Vol.3 No.12,
December
17,
2015
ABSTRACT: Betanova is a monomeric, three-stranded
antiparallel beta-sheet protein with twenty residues. The pathways between the
folded native structure and unfolded conformations of betanova are studied using
UNRES force field and the most popular computer simulation method, Metropolis
Monte Carlo algorithm. At a fixed temperature, 100 Monte Carlo simulations are
performed, starting from the folded native structure, and the pathways are
obtained at two different temperatures.