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Gaussian semiflexible rings under angular and dihedral restrictions

Authors :
Thomas Guérin
Raphaël Voituriez
Olivier Bénichou
Alexander Blumen
Maxim Dolgushev
Theoretical Polymer Physics
University of Freiburg [Freiburg]
Laboratoire Ondes et Matière d'Aquitaine (LOMA)
Université de Bordeaux (UB)-Centre National de la Recherche Scientifique (CNRS)
Laboratoire de Physique Théorique de la Matière Condensée (LPTMC)
Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)
Deutsche Forschungsgemeinschaft (DFG) : Grant No. Bl 142/11-1, DAAD : PROCOPE program (Project No. 55853833), Fonds der Chemischen Industrie, Campus France (Project No. 28252XE)
European Project: 277998,EC:FP7:ERC,ERC-2011-StG_20101014,FPTOPT(2011)
European Project: 295302,EC:FP7:PEOPLE,FP7-PEOPLE-2011-IRSES,SPIDER(2012)
Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)
Source :
Journal of Chemical Physics, Journal of Chemical Physics, 2014, 141 (1), pp.014901 (1-13). ⟨10.1063/1.4885445⟩, Journal of Chemical Physics, American Institute of Physics, 2014, 141 (1), pp.014901 (1-13). ⟨10.1063/1.4885445⟩, The Journal of Chemical Physics
Publication Year :
2014
Publisher :
HAL CCSD, 2014.

Abstract

International audience; 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.

Details

Language :
English
ISSN :
00219606 and 10897690
Database :
OpenAIRE
Journal :
Journal of Chemical Physics, Journal of Chemical Physics, 2014, 141 (1), pp.014901 (1-13). ⟨10.1063/1.4885445⟩, Journal of Chemical Physics, American Institute of Physics, 2014, 141 (1), pp.014901 (1-13). ⟨10.1063/1.4885445⟩, The Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....57d268e73b45a05288967397712cf63c
Full Text :
https://doi.org/10.1063/1.4885445⟩