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「Biophysics and Physicobiology」にShigeru Endo et al. “Normal mode analysis calculation for a full-atom model with a smaller number of degrees of freedom for huge protein molecules”を掲載

2019年11月29日 学会から

日本生物物理学会欧文誌[Biophysics and Physicobiology]に以下の論文が新規掲載されました。

Shigeru Endo, Hiroshi Wako “Normal mode analysis calculation for a full-atom model with a smaller number of degrees of freedom for huge protein molecules”

【Significance】
NMA for a full-atom model with a smaller number of degrees of freedom

The number of degrees of freedom in normal mode analysis calculations of protein is a crucial problem in a huge system. We examined two models in which the number of variables was reduced. They both adopted a full-atom model with dihedral angles as independent variables. The numbers of variables of the two models were two and one per residue, respectively. The fluctuation profiles and the motions of the atoms in the individual lowest-frequency normal modes were well reproduced, implying that they can predict large-amplitude concerted motions of the huge protein systems.

Biophysics and Physicobiology, Vol.16, 205-212
URL: https://doi.org/10.2142/biophysico.16.0_205


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