Gaussian semiflexible rings under angular and dihedral restrictions
M. Dolgushev
,
T. Guerin
,
A. Blumen
,
O. Benichou
,
R. Voituriez
JOURNAL OF CHEMICAL PHYSICS,
141, 1
Published 07 Jul. 2014
DOI: 10.1063/1.4885445
ISSN: 0021-9606
Abstract
Semiflexible polymer rings whose bonds obey both angular and dihedral restrictions {[}M. Dolgushev and A. Blumen, J. Chem. Phys. 138, 204902 (2013)], are treated under exact closure constraints. This allows us to obtain semianalytic results for their dynamics, based on sets of Langevin equations. The dihedral restrictions clearly manifest themselves in the behavior of the mean-square monomer displacement. The determination of the equilibrium ring conformations shows that the dihedral constraints influence the ring curvature, leading to compact folded structures. The method for imposing such constraints in Gaussian systems is very general and it allows to account for heterogeneous (site-dependent) restrictions. We show it by considering rings in which one site differs from the others. (C) 2014 AIP Publishing LLC.
Cette publication est associée à :
Dynamique stochastique des systèmes réactifs et vivants