@article{ISI:000508468600002,
 abstract = {We report equilibrium and nonequilibrium molecular dynamics (MD)
simulations of two nucleosome core particles (NCPs) stacked with their
dyad axes oriented in parallel or antiparallel fashion. From the
equilibrium trajectories, we determine the bridging behavior of
different histone tails and observe that different sets of histone tails
play important roles in the two orientations in stabilizing the NCP
stack. While the H4 and H2A tails play important intermediary roles in
the parallel stack, the H3 and H2B tails are important in the
antiparallel stack. We use steered MD simulations to unstack the two
NCPs and find a stark difference in their unstacking pathways. While the
average rupture force was found to be higher for the parallel stack, the
work done for complete unstacking was similar for both orientations. We
use Jarzynski equality to determine the PMF profiles along the
unstacking pathway, relate our findings to the behavior of NCP
mesophases, and derive insights into the enigmatic nucleosomal
organization in the chromatin fiber.},
 author = {Saurabh, Suman and Jang, Yun Hee and Lansac, Yves and Maiti, Prabal K.},
 doi = {10.1021/acs.jpcb.9b07898},
 eissn = {1520-5207},
 issn = {1520-6106},
 journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
 month = {JAN 16},
 number = {2},
 orcid-numbers = {Maiti, Prabal K/0000-0002-9956-1136},
 pages = {314-323},
 times-cited = {0},
 title = {Orientation Dependence of Inter-NCP Interaction: Insights into the
Behavior of Liquid Crystal Phase and Chromatin Fiber Organization},
 unique-id = {ISI:000508468600002},
 volume = {124},
 year = {2020}
}