Multiscale molecular modeling of chromatin with MultiMM: From nucleosomes to the whole genome.

We present a user-friendly 3D chromatin simulation model for the human genome based on OpenMM, addressing the challenges posed by existing models with use-specific implementations. Our approach employs a multi-scale energy minimization strategy, capturing chromatin's hierarchical structure. Initiating with a Hilbert curve-based structure, users can input files specifying nucleosome positioning, loops, compartments, or subcompartments.

LoopSage: An energy-based Monte Carlo approach for the loop extrusion modeling of chromatin.

The connection between the patterns observed in 3C-type experiments and the modeling of polymers remains unresolved. This paper presents a simulation pipeline that generates thermodynamic ensembles of 3D structures for topologically associated domain (TAD) regions by loop extrusion model (LEM). The simulations consist of two main components: a stochastic simulation phase, employing a Monte Carlo approach to simulate the binding positions of cohesins, and a dynamical simulation phase, utilizing these cohesins' positions to create 3D structures.

The dynamic role of cohesin in maintaining human genome architecture.

Recent advances in genomic and imaging techniques have revealed the complex manner of organizing billions of base pairs of DNA necessary for maintaining their functionality and ensuring the proper expression of genetic information. The SMC proteins and cohesin complex primarily contribute to forming higher-order chromatin structures, such as chromosomal territories, compartments, topologically associating domains (TADs) and chromatin loops anchored by CCCTC-binding factor (CTCF) protein or other genome organizers. Cohesin plays a fundamental role in chromatin organization, gene expression and regulation.

Multi-scale phase separation by explosive percolation with single-chromatin loop resolution.

The 2 m-long human DNA is tightly intertwined into the cell nucleus of the size of 10 μm. The DNA packing is explained by folding of chromatin fiber. This folding leads to the formation of such hierarchical structures as: chromosomal territories, compartments; densely-packed genomic regions known as Topologically Associating Domains (TADs), or Chromatin Contact Domains (CCDs), and loops.

[Clinical-pathologoanatomic analysis of post-operative thromboembolism of pulmonary artery].

Autopsy and clinical data were analysed for 803 surgical patients whose death was due to pulmonary artery thromboembolism (PAT). PAT was diagnosed intravitally in 32% of the deceased. 87% of the patients with PAT symptoms died within 2 hours.