Dipartimento di Fisica, Università di Napoli Federico II, and INFN Napoli, Complesso Universitario di Monte Sant'Angelo, 80126 Naples, Italy.
Department of Systems Biology, University of Massachusetts Chan Medical School, Worcester, MA 01605, USA.
Int J Mol Sci. 2024 Sep 23;25(18):10215. doi: 10.3390/ijms251810215.
Here, we employ polymer physics models of chromatin to investigate the 3D folding of a 2 Mb wide genomic region encompassing the human gene, a crucial DNA locus involved in key cellular functions. Through extensive Molecular Dynamics simulations, we reconstruct in silico the ensemble of single-molecule 3D structures, which we benchmark against recent in situ Hi-C 2.0 data. The model-derived single molecules are then used to predict structural folding features at the single-cell level, providing testable predictions for super-resolution microscopy experiments.
在这里，我们采用染色质的聚合物物理模型来研究一个 2Mb 宽的基因组区域的 3D 折叠，该区域包含人类基因，这是一个关键的 DNA 位置，涉及关键的细胞功能。通过广泛的分子动力学模拟，我们在计算机上重建了单分子的 3D 结构的集合，我们将其与最近的原位 Hi-C 2.0 数据进行了基准测试。然后，我们使用模型衍生的单分子来预测单细胞水平的结构折叠特征，为超分辨率显微镜实验提供可测试的预测。
