Gaussian semiflexible rings under angular and dihedral restrictions
GUÉRIN, Thomas
Laboratoire Ondes et Matière d'Aquitaine [LOMA]
Laboratoire de Physique Théorique de la Matière Condensée [LPTMC]
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Laboratoire Ondes et Matière d'Aquitaine [LOMA]
Laboratoire de Physique Théorique de la Matière Condensée [LPTMC]
GUÉRIN, Thomas
Laboratoire Ondes et Matière d'Aquitaine [LOMA]
Laboratoire de Physique Théorique de la Matière Condensée [LPTMC]
< Leer menos
Laboratoire Ondes et Matière d'Aquitaine [LOMA]
Laboratoire de Physique Théorique de la Matière Condensée [LPTMC]
Idioma
en
Article de revue
Este ítem está publicado en
Journal of Chemical Physics. 2014-07-07, vol. 141, n° 1, p. 014901 (1-13)
American Institute of Physics
Resumen en inglés
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 ...Leer más >
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.< Leer menos
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