An experimental and computational initiative in understanding human heterochromatin protein (HP1) interactions with nucleosomes, employing innovative molecular simulation techniques to refine the molecular model of the HP1a nucleosome complex from cryo-EM data, revealing its role in genome regulation.

-Advanced use of CryoFold algorithm integrating Cascade MD Flexible Fitting (cMDFF), Modeling Employing Limited Data (MELD), and MDFF for atomic coordinate optimization of the HP1 model based on cryo-EM data

-Successful refinement of the HP1a-nucleosome model, with improved model-to-density correspondence

-Exploration of constitutive heterochromatin characteristics, particularly H3 histone methylation and its interaction with the H2A.Z nucleosome