Molecular dynamics simulations of DNA–DNA and DNA–protein interactions

J Yoo, D Winogradoff, A Aksimentiev - Current Opinion in Structural Biology, 2020 - Elsevier
Highlights•Standard force fields prescribe overly attractive DNA-DNA and DNA-protein
interactions.•Recently improved force fields enable simulations that reproduce and predict …

Epigenome regulation by dynamic nucleosome unwrapping

S Brahma, S Henikoff - Trends in biochemical sciences, 2020 - cell.com
Gene regulation in eukaryotes requires the controlled access of sequence-specific
transcription factors (TFs) to their sites in a chromatin landscape dominated by …

Histone dynamics mediate DNA unwrapping and sliding in nucleosomes

GA Armeev, AS Kniazeva, GA Komarova… - Nature …, 2021 - nature.com
Nucleosomes are elementary building blocks of chromatin in eukaryotes. They tightly
wrap∼ 147 DNA base pairs around an octamer of histone proteins. How nucleosome …

[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 …

Chiral systems made from DNA

D Winogradoff, PY Li, H Joshi, L Quednau… - Advanced …, 2021 - Wiley Online Library
The very chemical structure of DNA that enables biological heredity and evolution has non‐
trivial implications for the self‐organization of DNA molecules into larger assemblies and …

A molecular view of DNA flexibility

A Marin-Gonzalez, JG Vilhena, R Perez… - Quarterly Reviews of …, 2021 - cambridge.org
DNA dynamics can only be understood by taking into account its complex mechanical
behavior at different length scales. At the micrometer level, the mechanical properties of …

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 …

From Nucleosomes to Compartments: Physicochemical Interactions Underlying Chromatin Organization

S Liu, A Athreya, Z Lao, B Zhang - Annual Review of Biophysics, 2024 - annualreviews.org
Chromatin organization plays a critical role in cellular function by regulating access to
genetic information. However, understanding chromatin folding is challenging due to its …

The nucleosome: from structure to function through physics

AV Onufriev, H Schiessel - Current opinion in structural biology, 2019 - Elsevier
Eukaryotic cells must fit meters of DNA into micron-sized cell nuclei and, at the same time,
control and modulate the access to the genetic material. The necessary amount of DNA …

Histone variant H2A. Z modulates nucleosome dynamics to promote DNA accessibility

S Li, T Wei, A Panchenko - Biophysical Journal, 2023 - cell.com
Nucleosomes containing the histone variant H2A. Z are important for gene transcription
initiation and termination, chromosome segregation and DNA double-strand break repair …