https://doi.org/10.1140/epjb/e2008-00301-0
The Rubik's cube problem revisited: a statistical thermodynamic approach
Department of Physics and Center for Complex Systems,
National Central University, Jhongli 32001, Taiwan
Corresponding author: a chilun@ncu.edu.tw
Received:
22
April
2008
Revised:
17
June
2008
Published online:
23
July
2008
Inspired by the protein folding problem, we propose a Rubik's cube model and study its thermodynamic and kinetic behavior. We find that the energy landscape contains a tiny funnel-like region, as the dynamics towards the native state is mostly diffusive. In particular, from Monte Carlo simulations we observe exponential kinetics in the first-passage-time distribution towards the native state at all temperatures considered, while the complexity of the energy landscape is exhibited through a stretched-exponential relaxation of the energy autocorrelation function. The rollover feature in the mean first passage time, as observed in many protein-folding dynamics studies, is captured again in our model and discussed under the statistical energy landscape approach.
PACS: 82.20.-w – Chemical kinetics and dynamics / 82.37.Np – Single molecule reaction kinetics, dissociation, etc.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008