Williams Matthew J, Bachmann Michael
Soft Matter Systems Research Group, Center for Simulational Physics, The University of Georgia, Athens, GA 30602, USA.
Instituto de Física, Universidade Federal de Mato Grosso, 78060-900 Cuiabá (MT), Brazil.
Polymers (Basel). 2016 Jun 27;8(7):245. doi: 10.3390/polym8070245.
Helical polymer bundles are an important fixture in biomolecular systems. The particular structural geometry of helix bundles is dependent on many factors including the length of the polymer chain. In this study, we performed Monte Carlo simulations of a coarse-grained model for helical polymers to determine the influence of polymer length on tertiary structure formation. Helical structures of semiflexible polymers are analyzed for several chain lengths under thermal conditions. Structural hyperphase diagrams, parametrized by torsion strength and temperature, are constructed and compared.
螺旋聚合物束是生物分子系统中的一个重要结构。螺旋束的特定结构几何形状取决于许多因素,包括聚合物链的长度。在本研究中,我们对螺旋聚合物的粗粒化模型进行了蒙特卡罗模拟,以确定聚合物长度对三级结构形成的影响。在热条件下,分析了几种链长的半柔性聚合物的螺旋结构。构建并比较了以扭转强度和温度为参数的结构超相图。