Folding Kinetics of a Polymer

Details Folding Kinetics of a Polymer Folding Kinetics of a Polymer

2011-09-29

arxiv.org/abs/1109.6459v1

Physics

Condensed Matter

Soft Condensed Matter

4 pages, 4 figures

Scientific paper

By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are different and we propose a way of quantifying the kinetic hindering. We then also observe that the top eigenvalue in the spectrum of the dynamical (contact or adjacency) matrix provides insight into the ensembles of folding and unfolding trajectories, and may be a suitable additional reaction coordinate for the folding transition of chain molecules.

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