Structures and consequences of pioneer factor binding to nucleosomes

E Luzete-Monteiro, KS Zaret - Current opinion in structural biology, 2022 - Elsevier
Pioneer transcription factors are able to bind a partially exposed motif on the surface of a
nucleosome, enabling the proteins to target sites in silent regions of chromatin that have …

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 …

Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations

C Tan, J Jung, C Kobayashi, DUL Torre… - PLOS Computational …, 2022 - journals.plos.org
Residue-level coarse-grained (CG) models have become one of the most popular tools in
biomolecular simulations in the trade-off between modeling accuracy and computational …

[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 …

Structural mechanism of LIN28B nucleosome targeting by OCT4

R Guan, T Lian, BR Zhou, D Wheeler, Y Bai - Molecular cell, 2023 - cell.com
Pioneer transcription factors are essential for cell fate changes by targeting closed
chromatin. OCT4 is a crucial pioneer factor that can induce cell reprogramming. However …

Binding of regulatory proteins to nucleosomes is modulated by dynamic histone tails

Y Peng, S Li, A Onufriev, D Landsman… - Nature …, 2021 - nature.com
Little is known about the roles of histone tails in modulating nucleosomal DNA accessibility
and its recognition by other macromolecules. Here we generate extensive atomic level …

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 …

FACT regulates pluripotency through proximal and distal regulation of gene expression in murine embryonic stem cells

DC Klein, SM Lardo, KN McCannell, SJ Hainer - BMC biology, 2023 - Springer
Background The FACT complex is a conserved histone chaperone with critical roles in
transcription and histone deposition. FACT is essential in pluripotent and cancer cells, but …

Epigenetic landscape of small cell lung cancer: small image of a giant recalcitrant disease

P Khan, JA Siddiqui, SK Maurya, I Lakshmanan… - Seminars in cancer …, 2022 - Elsevier
Small cell lung cancer (SCLC) is a particular subtype of lung cancer with high mortality.
Recent advances in understanding SCLC genomics and breakthroughs of immunotherapy …

GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems

J Jung, C Tan, Y Sugita - Nature Communications, 2024 - nature.com
Residue-level coarse-grained (CG) molecular dynamics (MD) simulation is widely used to
investigate slow biological processes that involve multiple proteins, nucleic acids, and their …