Department of Chemistry, Rice University, Houston, Texas 77005, USA.
J Chem Phys. 2010 Jul 14;133(2):024902. doi: 10.1063/1.3458821.
We propose a method for the theoretical investigation of polymer translocation through composite pore structures possessing arbitrarily specified geometries. The proposed method accounts for possible reverse chain motions at the interface between the constituent parts of a composite pore. As an illustration of our method, we study polymer translocation between two spherical compartments connected by a cylindrical pore and by a composite pore consisting of two connected cylinders of different diameters, which is structurally similar to the alpha-hemolysin membrane channel. We demonstrate that reverse chain motions between the pore constituents may contribute significantly to the total translocation time. Our results further establish that translocation through a two-cylinder composite pore is faster when the chain is introduced into the pore on the cis (wide) side of the channel rather than the trans (narrow) side.
我们提出了一种方法,用于理论研究聚合物通过具有任意指定几何形状的复合孔结构的迁移。所提出的方法考虑了复合孔的组成部分之间界面处可能发生的反向链运动。作为我们方法的说明,我们研究了通过由圆柱形孔和由两个不同直径的连接圆柱组成的复合孔连接的两个球形隔室之间的聚合物迁移,该复合孔在结构上类似于α-溶血素膜通道。我们证明了孔成分之间的反向链运动可能会对总迁移时间产生重大影响。我们的结果还进一步表明,当链在通道的顺式(宽)侧而不是反式(窄)侧进入孔时,通过双圆柱复合孔的迁移速度更快。