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首页> 外文期刊>The Journal of Chemical Physics >Modeling of DNA compaction by polycations
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Modeling of DNA compaction by polycations

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In this work we study polycations as efficient compacting agents of a medium size polyanion by means of Monte Carlo simulations.The systems are characterized in terms of a conformational analysis in which shape,overall dimensions,sturucture factors,radial distribution functions,and the degree of accumulation of the compaction agent near the polyanion are taken ioto consideration.Results show that the degree fo compaction depends on the size of the positive chains and their number.The role of electrostatic interactions is paramount in the compaction process,and an increase in the number ofmolecules of the compacting agent or in the number of charges of each molecule leads to collapse,which may be followed by some unfolding in situations of overcharging.Compaction is associated with polycations promoting between different sites in the polyanion.When the total charge of the compacting agent along the longer chain.However,complete charge neutralization is not mandatory to the compacting agent along the longer chain.However,complete charge neutralization is not mandatory to achieve compact forms.

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