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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Comparison of the energy histograms and conformations between different lattice models of copolymers
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Comparison of the energy histograms and conformations between different lattice models of copolymers

机译：共聚物不同晶格模型之间的能量直方图和构象的比较

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摘要

Based on large-scale Monte Carlo simulations the energy probability distribution functions are investigated for a large set of primary sequences in distinct lattice models of copolymers at low temperatures below transitions to compacted states, Amphiphilic copolymers with hydrophobic and hydrophilic units are found to produce. single or double peak energy distributions corresponding to mono- or multi-meric micellar conformations. However, copolymers with short-ranged random 'charge' interactions in some cases are found to produce energy distribution functions with a well pronounced lowest energy state and a gap separating it from the rest of the spectrum. These, however have rather peculiar conformations corresponding to effectively immiscible domains comprised from monomers of likewise species. The-relevance of these observations for coarse-grained models for protein folding is discussed. (C) 2003 Elsevier Science B.V. All rights reserved. [References: 14]
机译：基于大规模蒙特卡洛模拟，研究了共聚物在低温下转变为致密态时在不同晶格模型中的大量主序列在不同的晶格模型中的能量概率分布函数，发现可生成具有疏水和亲水单元的两亲共聚物。对应于单体或多聚体胶束构象的单峰或双峰能量分布。然而，在某些情况下，发现具有短程随机“电荷”相互作用的共聚物产生的能量分布函数具有明显的最低能量状态，并且能将其与其余光谱区分开。然而，这些具有相当奇特的构型，其对应于由相同种类的单体组成的有效不混溶的结构域。讨论了这些观察结果与蛋白质折叠的粗粒度模型的相关性。 （C）2003 Elsevier Science B.V.保留所有权利。 [参考：14]

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