| 초록 |
To understand the role of Topoisomerase (TOP), we use MD simulations of the FENE bead-spring model of a single chain with 1024 monomers. By tuning the values of parameters of FENE potential. (CC: chain crossing model, NCC: non chain crossing model). To delineate chain-crossing effects in conformational relaxation, we measure decay rates of autocorrelation function of different Rouse modes for the two models. CC model relaxes faster than NCC model in confined space. Furthermore, we carry out MD simulation for a DNA ejection process. We measure rate of the ejection in two packaged conformations: one (A) is spatially ordered and another (B) is more complex. In fact, CC model and NCC model move out from capsid more quickly at A than B. However, a decrease in ejection rate is much smaller in CC model than NCC model. Therefore, TOP might play a crucial role in DNA transfer process as well as in a conformational relaxation in a cell. |
