@misc{oai:repo.qst.go.jp:00073334, author = {Ishida, H. and H., Kono and 石田 恒 and 河野 秀俊}, month = {Sep}, note = {Nucleosomes create the diverse of the conformation of chromatin by the intra- and inter-nucleosome interactions. We analyzed these interactions using all-atom molecular dynamics simulations. As for the intra-nucleosomal interaction, the free energy profile for unwrapping the outer superhelical turn of nucleosomal DNA revealed that there are many potential paths to outer superhelicdal turn unwrapping, but the dominant path is likely asymmetric. As for the inter-nucleosomal interaction, the free energy profile for separating two nucleosomes revealed that H4 histone tails diversify the two nucleosomes’ orientation. These results provide insight into the construction, disruption, repositioning of nucleosomes to understand chromatin dynamics., 第56回日本生物物理学会年会}, title = {Free energy profiles of the intra- and inter-nucleosomal interactions by all-atom molecular dynamics simulations}, year = {2018} }