Gaussian semiflexible rings under angular and dihedral restrictions | Zendy

Maxim Dolgushev | Zendy; Thomas Guérin | Zendy; A. Blumen | Zendy; O. Bénichou | Zendy; Raphaël Voituriez | Zendy

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Gaussian semiflexible rings under angular and dihedral restrictions

Author(s) -

Maxim Dolgushev,

Thomas Guérin,

A. Blumen,

O. Bénichou,

Raphaël Voituriez

Publication year - 2014

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.4885445

Subject(s) - dihedral angle , gaussian , ring (chemistry) , curvature , mean squared displacement , square (algebra) , gaussian curvature , displacement (psychology) , mathematics , statistical physics , physics , molecular dynamics , chemistry , geometry , quantum mechanics , molecule , psychology , hydrogen bond , organic chemistry , psychotherapist

International audienceSemiflexible 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

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