Cyclization kinetics of Gaussian semiflexible polymer chains

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Nov;90(5-1):052601. doi: 10.1103/PhysRevE.90.052601. Epub 2014 Nov 12.

Abstract

We consider the dynamics and the cyclization kinetics of Gaussian semiflexible chains, in which the interaction potential tends to align successive bonds. We provide asymptotic expressions for the cyclization time, for the eigenvalues and eigenfunctions, and for the mean square displacement at all time and length scales, with explicit dependence on the capture radius, on the positions of the reactive monomers in the chain, and on the finite number of beads. For the cyclization kinetics, we take into account non-Markovian effects by calculating the distribution of reactive conformations of the polymer, which are not taken into account in the classical Wilemski-Fixman theory. Comparison with numerical simulations confirms the accuracy of this non-Markovian theory.