Login / Signup

Regulation of chromatin architecture by protein binding: insights from molecular modeling.

Stephanie Portillo-LedesmaTamar Schlick
Published in: Biophysical reviews (2024)
Histone and non-histone proteins play key roles in the activation and repression of genes. In addition to experimental studies of their regulation of gene expression, molecular modeling at the nucleosome, chromatin, and chromosome levels can contribute insights into the molecular mechanisms involved. In this review, we provide an overview for protein-bound chromatin modeling, and describe how our group has integrated protein binding into genome systems across the scales, from all-atom to coarse-grained models, using explicit to implicit descriptions. We describe the associated applications to protein binding effects and biological mechanisms of genome folding and gene regulation. We end by illustrating the application of machine learning tools like AlphaFold2 to proteins relevant to chromatin systems.
Keyphrases
  • gene expression
  • genome wide
  • dna methylation
  • binding protein
  • dna damage
  • machine learning
  • transcription factor
  • molecular dynamics
  • protein protein
  • amino acid
  • molecular dynamics simulations
  • oxidative stress