The Study Of Semiflexible Polymer Translocation Through A Nanopore Into Spherical Cavity

In the biology, Many life processes are involved in the translocation of biological macromolecules,such as DNA and RNA through the nuclear pores, protein across the lipid bilayer film, virus infected host cells and so on. Because of biological macromolecules has a very important role in the life activities, so the behavior of macromolecules translocation caused interests of many scientists. It is helpful for us to understand the translocation process of bio-macromolecule by studying the semiflexible polymer's translocation across a nanopore in biological body.The second chapter introduces quantum mechanics, molecular mechanics, molecular dynamics and Monte Carlo simulation method. It focuses on the combination of the Monte Carlo simulation method and its basic theories, models, sampling methods and algorithms in Polymer Science.In the third chapter, the simulation of semi-flexible chain molecules through nanopores into a sphere under the electric field is studied. The effect of electric field strength and bending energy b on translocation process is our study focuses. The results showed that E and b has a very obvious effect on the macromolecular chains translocation. It is found that average translocation time ? decreases with E increase for different b, and ? and N satisfy the relation: ?~N?, in addition, E and b have obvious influence on the scaling exponent. It shows that the translocation process for small b is different from that for large b in the regime of moderate electric field strength. It is helpful for us to understand the translocation process of bio-macromolecule by studying the semiflexible polymer's translocation across a nanopore in biological body.