The influence of conformational dynamics on the self-assembly process of a conformationally constrained analogue of the natural antimicrobial peptide Trichogin GA IV was analysed by spectroscopic methods, microscopy imaging at nanometre resolution, and molecular dynamics simulations. The formation of peptide films at the air/water interface and their deposition on a graphite or a mica substrate were investigated. A combination of experimental evidence with molecular dynamics simulation was used to demonstrate that only the fully developed helical structure of the analogue promotes formation of ordered aggregates that nucleate the growth of micrometric rods, which give rise to homogenous coating over wide regions of the hydrophilic mica. This work proves the influence of helix flexibility on peptide self-organization and orientation on surfaces, key steps in the design of bioinspired organic/inorganic hybrid materials.

中文翻译：

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控制肽膜的形成：需要充分发展的螺旋肽才能在大面积上获得均质的涂层。

构象动力学对天然抗菌肽Trichogin GA IV的构象约束类似物自组装过程的影响通过光谱方法，纳米级显微镜成像和分子动力学模拟进行了分析。研究了在空气/水界面处肽膜的形成及其在石墨或云母基底上的沉积。实验证据与分子动力学模拟的结合被用来证明，只有类似物充分发展的螺旋结构才能促进有序聚集体的形成，从而使测微棒的生长成核，从而在亲水性云母的宽阔区域上形成均匀的涂层。这项工作证明了螺旋柔韧性对肽的自组织和表面取向的影响，