有 100， 200 和 300 祷告的链长度的单个聚合物链的结构的转变被平行 tempering MD 模拟调查。我们的模拟结果能与减少的温度从随机的卷捕获结构的变化到 orientationally 订的结构。清楚的转变作为温度的功能在旋转和全球 orientational 顺序参数 P 的半径的曲线上被观察，它表明了单个聚合物链的结构的形成。在旋转 R gx 的方形的半径的三个部件之间的线性关系 2， R gy 2， R gz 2 并且全球 orientational 顺序 P 能在在结构上 transformational 过程下面被获得。在 x 之间的线性关系的斜坡(或 Y 轴) 部件 R gx 2 (或 R gy 2 ) 并且 P 是否定的，当时 R gz， 2 作为 P 的功能是积极的。斜坡的绝对值与链长度成正比。一旦单个聚合物链拿随机的卷或订的配置，线性关系是无效的。conformational 变化也在显微镜的规模上被分析。聚合物链能被当作由灵活的环连接的僵硬的茎的构造。从茎长度分发的指数地减少的行为的偏差变得突出，显示一链使硬产生导致与减少的温度处于 trans 状态结束的越来越多的片断。茎长度 N tr 是大约 21 张契约显示聚合物链与特定的褶层长度被订。那么，模拟结果，显示出液体水晶的聚合物链的原型，是有用的理解水晶的聚合物的结晶化过程。
The effect of channel-protein interaction on the translocation of a protein-like chain through a finite channel under certain electric field was studied by using dynamical Monte Carlo simulations.The interior behavior of chain conformation under different interactions was investigated,such as the number of monomers outside of channel n_(out),monomers inside of channel n_m,mean-square radius of gyration〈S^2〉and the average energy〈U〉.It shows that with strong attractive interaction,the translocation is more difficult than moderate interaction.At the same time,the dependence of translocation time with different interactions shows that moderate repulsive interaction(ε_(cp)= 0.5) accelerates the translocation.Although the waiting time for successful translocation ofε_(cp) = 1.0 is the longest,the average translocation time is not very large.It is far smaller than that ofε_(cp)=-1.0.The probability distributions of translocation time p(t') and the probability distributions of three duration times p(t_1'),p(t_2') and p(t_3') were all discussed.Log-normal distributions are found.All these findings will strengthen the understanding of protein translocation.
