[HTML][HTML] Multiscale modeling of genome organization with maximum entropy optimization

X Lin, Y Qi, AP Latham, B Zhang - The Journal of chemical physics, 2021 - pubs.aip.org
ABSTRACT Three-dimensional (3D) organization of the human genome plays an essential
role in all DNA-templated processes, including gene transcription, gene regulation, and …

The role of coevolutionary signatures in protein interaction dynamics, complex inference, molecular recognition, and mutational landscapes

F Morcos, JN Onuchic - Current opinion in structural biology, 2019 - Elsevier
Highlights•Coevolution of molecular interfaces induces direct correlations between sites of
interacting sequences.•Global models that identify direct correlations in sequences of …

A scalable computational approach for simulating complexes of multiple chromosomes

ABO Junior, VG Contessoto, MF Mello… - Journal of molecular …, 2021 - Elsevier
Significant efforts have been recently made to obtain the three-dimensional (3D) structure of
the genome with the goal of understanding how structures may affect gene regulation and …

Motorized chain models of the ideal chromosome

Z Cao, PG Wolynes - Proceedings of the National Academy of Sciences, 2024 - pnas.org
An array of motor proteins consumes chemical energy in setting up the architectures of
chromosomes. Here, we explore how the structure of ideal polymer chains is influenced by …

[HTML][HTML] 3D epigenomics and 3D epigenopathies

KH Lee, J Kim, JH Kim - BMB reports, 2024 - ncbi.nlm.nih.gov
Mammalian genomes are intricately compacted to form sophisticated 3-dimensional
structures within the tiny nucleus, so called 3D genome folding. Despite their shapes …

Chromosome modeling on downsampled Hi-C maps enhances the compartmentalization signal

AB Oliveira Junior, CP Estrada, EL Aiden… - The Journal of …, 2021 - ACS Publications
The human genome is organized within a nucleus where chromosomes fold into an
ensemble of different conformations. Chromosome conformation capture techniques such as …

Braiding topology and the energy landscape of chromosome organization proteins

D Krepel, A Davtyan, NP Schafer… - Proceedings of the …, 2020 - National Acad Sciences
Assemblies of structural maintenance of chromosomes (SMC) proteins and kleisin subunits
are essential to chromosome organization and segregation across all kingdoms of life. While …

Multiscale Bayesian simulations reveal functional chromatin condensation of gene loci

GB Brandani, C Gu, S Gopi, S Takada - PNAS nexus, 2024 - academic.oup.com
Chromatin, the complex assembly of DNA and associated proteins, plays a pivotal role in
orchestrating various genomic functions. To aid our understanding of the principles …

[HTML][HTML] DNA looping by protamine follows a nonuniform spatial distribution

RB McMillan, VD Kuntz, LM Devenica, H Bediako… - Biophysical journal, 2021 - cell.com
DNA looping plays an important role in cells in both regulating and protecting the genome.
Often, studies of looping focus on looping by prokaryotic transcription factors like lac …

Residue coevolution and mutational landscape for OmpR and NarL response regulator subfamilies

M Shibata, X Lin, JN Onuchic, K Yura, RR Cheng - Biophysical Journal, 2024 - cell.com
DNA-binding response regulators (DBRRs) are a broad class of proteins that operate in
tandem with their partner kinase proteins to form two-component signal transduction …