Department of Mathematics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Department of Biology, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Methods Mol Biol. 2022;2415:211-220. doi: 10.1007/978-1-0716-1904-9_16.
The application of polymer models to chromosome structure and dynamics is a powerful approach for dissecting functional properties of the chromosome. The models are based on well-established bead-spring models of polymers and are distinct from molecular dynamics studies used in structural biology. In this work, we outline a polymer dynamics model that simulates budding yeast chromatin fibers in a viscous environment inside the nucleus using DataTank as a user interface for the C++ simulation. We highlight features for creating the nucleolus, a dynamic region of chromatin with protein-mediated, transient chromosomal cross-links, providing a predictive, stochastic polymer-physics model for versatile analyses of chromosome spatiotemporal organization. DataTank provides real-time visualization and data analytics methods during simulation. The simulation pipeline provides insights into the entangled chromosome milieu in the nucleus and creates simulated chromosome data, both structural and dynamic, that can be directly compared to experimental observations of live cells in interphase and mitosis.
聚合物模型在染色体结构和动力学中的应用是剖析染色体功能特性的一种强大方法。这些模型基于聚合物的成熟珠-簧模型,与结构生物学中使用的分子动力学研究不同。在这项工作中,我们概述了一种聚合物动力学模型,该模型使用 DataTank 作为 C++模拟的用户界面,在核内粘性环境中模拟出芽酵母染色质纤维。我们强调了创建核仁的功能,核仁是染色质的一个动态区域,具有蛋白介导的、瞬时的染色体交联,为染色体时空组织的多功能分析提供了一个可预测的、随机的聚合物物理模型。DataTank 在模拟过程中提供实时可视化和数据分析方法。该模拟管道深入了解了细胞核中纠缠的染色体环境,并创建了可直接与有丝分裂和间期活细胞的实验观察结果进行比较的模拟染色体结构和动态数据。