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Acknowledgements
This work was supported by MEXT/JSPS KAKENHI Grant Numbers (JP20K22629 to M. Shimizu; JP19K16088
and 21K15051 to K. M.; JP19KK0071, and JP20K06579 to R. I.; JP17K07816 to N. S.; JP18H05229 and
JP18H05534 to M. Sugiyama), and the Sasakawa Scientific Research Grant from The Japan Science Society
assigned to A. O. The study was also partially supported by a project for the construction of the basis for advanced
materials science and analytical study by the innovative use of quantum beams and nuclear sciences at the
Institute for Integrated Radiation and Nuclear Science, Kyoto University (KURNS) and a grants for research
promotion in KURNS to M. Shimizu and Y. Y. The study was partially supported by the Platform Project for
Supporting Drug Discovery and Life Science Research (Basis for Supporting Innovative Drug Discovery and
Life Science Research (BINDS)) from AMED (JP22ama121001j0001) to M. Sugiyama.
Author contributions
M.Sh. and M.Su. designed the modeling method. M.Sh. performed MD simulations and analysed the simulation
data. All authors wrote the paper.
Competing interests The authors declare no competing interests.
Additional information
Supplementary Information The online version contains supplementary material available at https://doi.org/
10.1038/s41598-022-13982-9.
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