Structure-Function Dynamics Hybrid Modeling: RNA Degradation

Autor:	Zheng, Hua, Xie, Wei, Whitford, Paul, Wang, Ailun, Fang, Chunsheng, Xu, Wandi
Rok vydání:	2023
Předmět:	Quantitative Biology - Molecular Networks
Druh dokumentu:	Working Paper
Popis:	RNA structure and functional dynamics play fundamental roles in controlling biological systems. Molecular dynamics simulation, which can characterize interactions at an atomistic level, can advance the understanding on new drug discovery, manufacturing, and delivery mechanisms. However, it is computationally unattainable to support the development of a digital twin for enzymatic reaction network mechanism learning, and end-to-end bioprocess design and control. Thus, we create a hybrid ("mechanistic + machine learning") model characterizing the interdependence of RNA structure and functional dynamics from atomistic to macroscopic levels. To assess the proposed modeling strategy, in this paper, we consider RNA degradation which is a critical process in cellular biology that affects gene expression. The empirical study on RNA lifetime prediction demonstrates the promising performance of the proposed multi-scale bioprocess hybrid modeling strategy. Comment: 12 pages, 5 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2305.03925 Zobrazit plný text záznamu View this record from Arxiv