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024 7 _ |a 10.1209/0295-5075/87/40002
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024 7 _ |a 0295-5075
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024 7 _ |a 2128/22979
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037 _ _ |a PreJuSER-5135
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Multidisciplinary
100 1 _ |0 P:(DE-Juel1)VDB64916
|a Junghans, C.
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245 _ _ |a Statistical Mechanics of Aggregation and Crystallization for Semiflexible Polymers
260 _ _ |a Les Ulis
|b EDP Sciences
|c 2009
300 _ _ |a 40002
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440 _ 0 |0 1996
|a Europhysics Letters
|v 87
|x 0295-5075
500 _ _ |a This work is partially supported by the DFG (German Science Foundation) under Grant No. JA 483/24-1/2/3, the Leipzig Graduate School of Excellence "BuildMoNa", and by the Max Planck Society. Support by a NIC supercomputer time grant (No. hlz11) of the Forschungszentrum Julich is acknowledged.
520 _ _ |a By means of multicanonical computer simulations, we investigate thermodynamic properties of the aggregation of interacting semiflexible polymers. We analyze a mesoscopic bead-stick model, where nonbonded monomers interact via Lennard-Jones forces. Aggregation turns out to be a process, in which the constituents experience strong structural fluctuations, similar to peptides in coupled folding-binding cluster formation processes. In contrast to a recently studied related proteinlike hydrophobic-polar heteropolymer model, aggregation and crystallization are separate processes for a homopolymer with the same small bending rigidity. Rather stiff semiflexible polymers form a liquid-crystal-like phase, as expected. In analogy to the heteropolymer study, we find that the first-order-like aggregation transition of the complexes is accompanied by strong system-size-dependent hierarchical surface effects. In consequence, the polymer aggregation is a phase-separation process with entropy reduction. Copyright (C) EPLA, 2009
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700 1 _ |0 P:(DE-Juel1)VDB86028
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700 1 _ |0 P:(DE-Juel1)VDB62480
|a Janke, W.
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856 7 _ |u http://dx.doi.org/10.1209/0295-5075/87/40002
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