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Stretching a heteropolymer

机译:拉伸杂聚物

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We study the elastic properties of single heteropolymers.By means of exact enumeration of conformations,Monte Carlo (MC) simulation,and variational principles,we calculate equilibrium force-extension curves of heterocopolymers for specific arrangements of the monomer types along the sequence.At a given extension z,the time averaged measured force is the weighted sum of restoring forces for various configurations.Using variational principles,we calculate force-extension (f-z) curves of heteropolymers with fixed extensions z.These results are compared with f-z curves obtained from MC simulations and exact enumeration of all conformations.Typical random sequences manifest several piecewise unfoldings of blocks of various size,which are overlapping due to thermal fluctuations.The shape of the elastic response of a heteropolymer reflects the disorder in the primary block structure and the binding energies of these blocks.
机译:我们研究了单一杂聚物的弹性特性。通过精确的构象枚举,Monte Carlo(MC)模拟和变分原理,我们针对单体类型沿序列的特定排列,计算了杂聚物的平衡力-延伸曲线。给定延伸量z,时间平均测得的力是各种构型的恢复力的加权总和。使用变分原理,我们计算了具有固定延伸量z的杂聚物的力-延伸(fz)曲线。这些结果与从MC获得的fz曲线进行了比较模拟和所有构象的精确枚举。典型的随机序列显示了多个大小不同的嵌段的分段展开,这些嵌段由于热涨落而重叠。杂聚物的弹性响应形状反映了一级嵌段结构和结合能的无序性这些块中。

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