@misc{oai:repo.qst.go.jp:00083722, author = {Hisashi, Ishida and Hidetoshi, Kono and Hisashi, Ishida and Hidetoshi, Kono}, month = {Nov}, note = {Nucleosome reconstitution plays an important role in many cellular functions. As the initial step of the H2A-H2B dimer eviction, dimer displacement, which is accompanied by disruption of many of the interactions within the nucleosome, should occur. To understand how H2A/H2B dimer displacement occurs, we carried out all-atom molecular dynamics simulations of wrapped and unwrapped nucleosomes. The free energies for the dimer displacement from these nucleosomes were estimated to be similar, about 30 kcal/mol, but the pathways for the dimer displacement were different. We found that conformational disrupt at the interface between the docking domain of H2A and the adjacent regions of H3 αN-helix, H3 αC-helix and H4 C-terminal significantly contributed to the free energy., 第59回日本生物物理学会年会}, title = {Free energy profile of H2A-H2B dimer displacement from nucleosome}, year = {2021} }