article · 07/07/2014
Gaussian semiflexible rings under angular and dihedral restrictions
Résumé
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.
Citer cet article
Dolgushev, M., Guerin, T., Blumen, A., Benichou, O., & Voituriez, R. (2014). Gaussian semiflexible rings under angular and dihedral restrictions. JOURNAL OF CHEMICAL PHYSICS, 141(1). https://doi.org/10.1063/1.4885445@article{Dolgushev2014_216,
author = {Dolgushev, Maxim and Guerin, Thomas and Blumen, Alexander and Benichou, Olivier and Voituriez, Raphael},
year = {2014},
month = {7},
title = {Gaussian semiflexible rings under angular and dihedral restrictions},
journal = {JOURNAL OF CHEMICAL PHYSICS},
volume = {141},
number = {1},
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.},
url = {http://www.dx.doi.org/10.1063/1.4885445},
doi = {10.1063/1.4885445},
issn = {0021-9606},
}TY - JOUR
AU - Dolgushev, Maxim
AU - Guerin, Thomas
AU - Blumen, Alexander
AU - Benichou, Olivier
AU - Voituriez, Raphael
PY - 2014
DA - 2014/07/07
TI - Gaussian semiflexible rings under angular and dihedral restrictions
JO - JOURNAL OF CHEMICAL PHYSICS
VL - 141
IS - 1
SN - 0021-9606
AB - 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.
DO - 10.1063/1.4885445
UR - http://www.dx.doi.org/10.1063/1.4885445
ER -