Thickness-Dependent Secondary Structure Formation of Tubelike Polymers

Vogel, T.; Janke, W.; Neuhaus, T.; Bachmann, M.

doi:10.1209/0295-5075/85/10003

Journal Article

PreJuSER-8710

Thickness-Dependent Secondary Structure Formation of Tubelike Polymers

Vogel, T.FZJ* ; Neuhaus, T.FZJ* ; Bachmann, M.FZJ* ; Janke, W.FZJ*

2009
EDP Sciences Les Ulis

epl 85, 10003 (2009) [10.1209/0295-5075/85/10003]

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Please use a persistent id in citations: http://hdl.handle.net/2128/22976 doi:10.1209/0295-5075/85/10003

Abstract: By means of sophisticated Monte Carlo methods, we investigate the conformational phase diagram of a simple model for flexible polymers with explicit thickness. The thickness constraint, which is introduced geometrically via the global radius of curvature of a polymer conformation, accounts for the excluded volume of the polymer and induces cooperative effects supporting the formation of secondary structures. In our detailed analysis of the temperature and thickness dependence of the conformational behavior for classes of short tubelike polymers, we find that known secondary-structure segments like helices and turns, but also ringlike conformations and stiff rods are dominant intrinsic topologies governing the phase behavior of such cooperative tubelike objects. This shows that the thickness constraint is indeed a fundamental physical parameter that allows for a classification of generic polymer structures. Copyright (C) EPLA, 2009

Keyword(s): J

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Physics, Multidisciplinary

Note: This work is partially supported by the DFG (German Science Foundation) under Grant Nos. JA 483/24-1/2 and the Leipzig Graduate School of Excellence "BuildMoNa". Some simulations were performed on the supercomputer JUMP of the John von Neumann Institute for Computing (NIC), Forschungszentrum Julich, under Grant No. hlz11.

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Appears in the scientific report 2009

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OpenAccess