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1.
Phys Rev E Stat Nonlin Soft Matter Phys ; 81(3 Pt 1): 031803, 2010 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-20365761

RESUMO

We present results for unforced polymer translocation from simulations using Langevin dynamics in two dimensions (2D) to four dimensions and stochastic rotation dynamics supporting hydrodynamic modes in three dimensions (3D). We compare our results to forced translocation and a simplified model where the polymer escapes from an infinite pore. The simple model shows that the scaling behavior of unforced translocation is independent of the dimension of the side to which the polymer is translocating. We find that, unlike its forced counterpart, unforced translocation dynamics is insensitive to pore design. Hydrodynamics is seen to markedly speed up the unforced translocation process but not to affect the scaling relations. Average mean-squared displacement shows scaling with average transition time in unforced but not in forced translocation. The waiting-time distribution in unforced translocation follows closely Poissonian distribution. Our measured transfer probabilities align well with those obtained from an equilibrium theory in 3D, but somewhat worse in 2D, where a polymer's relaxation toward equilibrium with respect to its translocation time is slower. Consequently, in stark contrast to forced translocation, unforced translocation is seen to remain close to equilibrium and shows clear universality.


Assuntos
Modelos Químicos , Modelos Moleculares , Polímeros/química , Simulação por Computador , Módulo de Elasticidade , Transferência de Energia , Conformação Molecular , Movimento (Física) , Estresse Mecânico
2.
Phys Rev E Stat Nonlin Soft Matter Phys ; 82(3 Pt 1): 031908, 2010 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-21230109

RESUMO

We present a numerical study of forced polymer translocation by using two separate pore models. Both of them have been extensively used in previous forced translocation studies. We show that variations in the pore model affect the forced translocation characteristics significantly in the biologically relevant range of the pore force, i.e., the driving force. Details of the model are shown to change even the obtained scaling relations, which is a strong indication of strongly out-of-equilibrium dynamics in the computational studies which have not yet succeeded in addressing the characteristics of the forced translocation for biopolymers at realistic length scale.


Assuntos
Modelos Teóricos , Movimento (Física) , Polímeros/química , Biopolímeros/química , Biopolímeros/metabolismo , Polímeros/metabolismo , Porosidade , Probabilidade
3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 78(6 Pt 1): 061803, 2008 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-19256860

RESUMO

In forced polymer translocation, the average translocation time tau scales with respect to pore force f and polymer length N as tau approximately f;{-1}N;{beta} . We demonstrate that an artifact in the Metropolis Monte Carlo method resulting in breakage of the force scaling with large f may be responsible for some of the controversies between different computationally obtained results and also between computational and experimental results. Using Langevin dynamics simulations we show that the scaling exponent beta

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