Diffusion coefficients of elastic macromolecules

被引:10
|
作者
Cichocki, Bogdan [1 ]
Rubin, Marcin [1 ]
Niedzwiecka, Anna [2 ]
Szymczak, Piotr [1 ]
机构
[1] Univ Warsaw, Fac Phys, Inst Theoret Phys, Pasteura 5, PL-02093 Warsaw, Poland
[2] Polish Acad Sci, Inst Phys, Aleja Lotnikow 32-46, PL-02668 Warsaw, Poland
关键词
colloids; INTRINSICALLY UNSTRUCTURED PROTEINS; HYDRODYNAMIC INTERACTIONS; FLEXIBLE MACROMOLECULES; TRANSPORT-PROPERTIES; DISORDERED PROTEINS; BROWNIAN DYNAMICS; DILUTE-SOLUTION; POLYMER-CHAINS; FLEXIBILITY;
D O I
10.1017/jfm.2019.652
中图分类号
O3 [力学];
学科分类号
08 ; 0801 ;
摘要
In elastic macromolecules, the value of the short-time diffusion coefficient depends on the choice of the point the displacement of which is tracked. On the other hand, the experimentally more relevant long-time diffusion coefficient is independent of the reference point, but its estimation usually requires computationally expensive Brownian dynamics simulations. Here we show how to obtain a precise estimate of the long-time diffusion coefficient of elastic macromolecules in a fast and robust manner, without invoking Brownian dynamics.
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页数:12
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