Wave space sonification of the folding pathways of protein molecules modeled as hyper-redundant robotic mechanisms
Wave space sonification of the folding pathways of protein molecules modeled as hyper-redundant robotic mechanisms
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DOI：
10.1007/s11042-023-15385-y
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发表时间：
2023-05-30
影响因子：
3.6
通讯作者：
Mohammadi，Alireza
中科院分区：
文献类型：
--
作者：
Kacem，Amal;Zbiss，Khalil;Mohammadi，Alireza
蛋白质分子折叠途径的研究在阿尔茨海默病等疾病的研究和病毒药物的分子水平设计中起着关键作用。尽管可视化技术最近取得了进展，但与蛋白质折叠途径相关的大型数据集的有效超声（即非言语听觉表示）仍然是一个悬而未决的问题。本文利用Hermann的波空间超声（WSS）框架研究了蛋白质折叠通路数据集的超声问题。特别是，本文利用强大的WSS框架开发了一种蛋白质分子二面角折叠轨迹的超声方法，该方法被建模为具有许多刚性纳米连接的超冗余机器人机构。例如，将所开发的超声方法应用于具有82维二面角空间的蛋白质分子主链，其中基于与构象频率相关的正弦波和的规范波空间函数和基于莫扎特真主安拉Turca的基于样本的波空间函数用于对该肽链的折叠轨迹进行超声。
Investigation of the folding pathways of protein molecules plays a key role in studying diseases such as Alzheimer’s and designing viral drugs at the molecular level. Despite recent advances in visualization techniques, effective sonification (i.e., non-speech auditory representation) of large datasets associated with protein folding pathways is still an open question. This paper investigates the problem of sonification of protein folding pathway datasets by using the wave space sonification (WSS) framework due to Hermann . In particular, this paper utilizes the powerful WSS framework to develop a sonification methodology for the dihedral angle folding trajectories of protein molecules, which are modeled as hyper-redundant robotic mechanisms with many rigid nano-linkages. As an example, the developed sonification methodology is applied to a protein molecule backbone chain with a dihedral angle space of dimension 82, where a canonical wave space function based on a sum-of-sinusoids with conformation-dependent frequencies and a sample-based wave space function based on Mozart’s Alla Turca are utilized for sonification of the folding trajectories of this peptide chain.