Genome modeling: from chromatin fibers to genes

S Portillo-Ledesma, Z Li, T Schlick - Current opinion in structural biology, 2023 - Elsevier
The intricacies of the 3D hierarchical organization of the genome have been approached by
many creative modeling studies. The specific model/simulation technique combination …

Techniques for and challenges in reconstructing 3D genome structures from 2D chromosome conformation capture data

Z Li, S Portillo-Ledesma, T Schlick - Current Opinion in Cell Biology, 2023 - Elsevier
Chromosome conformation capture technologies that provide frequency information for
contacts between genomic regions have been crucial for increasing our understanding of …

[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 …

Mesoscale modeling and single-nucleosome tracking reveal remodeling of clutch folding and dynamics in stem cell differentiation

PA Gómez-García, S Portillo-Ledesma, MV Neguembor… - Cell reports, 2021 - cell.com
Nucleosomes form heterogeneous groups in vivo, named clutches. Clutches are smaller
and less dense in mouse embryonic stem cells (ESCs) compared to neural progenitor cells …

Nucleosome clutches are regulated by chromatin internal parameters

S Portillo-Ledesma, LH Tsao, M Wagley… - Journal of Molecular …, 2021 - Elsevier
Nucleosomes cluster together when chromatin folds in the cell to form heterogeneous
groups termed “clutches”. These structural units add another level of chromatin regulation …

Sensitive effect of linker histone binding mode and subtype on chromatin condensation

O Perišić, S Portillo-Ledesma… - Nucleic Acids Research, 2019 - academic.oup.com
The complex role of linker histone (LH) on chromatin compaction regulation has been
highlighted by recent discoveries of the effect of LH binding variability and isoforms on …

[HTML][HTML] Breaths, twists, and turns of atomistic nucleosomes

J Huertas, V Cojocaru - Journal of molecular biology, 2021 - Elsevier
Gene regulation programs establish cellular identity and rely on dynamic changes in the
structural packaging of genomic DNA. The DNA is packaged in chromatin, which is formed …

Physical modeling of nucleosome clustering in euchromatin resulting from interactions between epigenetic reader proteins

JG Wakim, AJ Spakowitz - Proceedings of the National …, 2024 - National Acad Sciences
Euchromatin is an accessible phase of genetic material containing genes that encode
proteins with increased expression levels. The structure of euchromatin in vitro has been …

Brownian dynamics simulations of mesoscale chromatin fibers

Z Li, S Portillo-Ledesma, T Schlick - Biophysical journal, 2023 - cell.com
The relationship between chromatin architecture and function defines a central problem in
biology and medicine. Many computational chromatin models with atomic, coarse-grained …

Mesoscale liquid model of chromatin recapitulates nuclear order of eukaryotes

R Laghmach, M Di Pierro, DA Potoyan - Biophysical Journal, 2020 - cell.com
The nuclear envelope segregates the genome of Eukaryota from the cytoplasm. Within the
nucleus, chromatin is further compartmentalized into architectures that change throughout …