Abstract
CpG islands are the regions of the genome that contain a large number of sites with a non-methylated cytosine nucleotide followed by a guanine. CpG islands are associated with most gene promoters in mammals. Methylation in CpG islands often results in gene silencing. Despite the significance of these regions, their mechanical properties have not been widely investigated. We employ the cgDNA+ coarse-grain model of DNA to understand the structure and flexibility of CpG islands. It has been demonstrated that the cgDNA+ model, trained on large scale atomistic Molecular Dynamics simulation data, can accurately and efficiently predict the equilibrium distribution of sequence-dependent DNA configurations.
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