Stability and folding pathways of tetra-nucleosome from six-dimensional free energy surface.

ABSTRACT: The three-dimensional organization of chromatin is expected to play critical roles in regulating genome functions. High-resolution characterization of its structure and dynamics could improve our understanding of gene regulation mechanisms but has remained challenging. Using a near-atomistic model that preserves the chemical specificity of protein-DNA interactions at residue and base-pair resolution, we studied the stability and folding pathways of a tetra-nucleosome. Dynamical simulations performed with an advanced sampling technique uncovered multiple pathways that connect open chromatin configurations with the zigzag crystal structure. Intermediate states along the simulated folding pathways resemble chromatin configurations reported from in situ experiments. We further determined a six

SUBMITTER: Ding X 

PROVIDER: S-EPMC7889939 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature