ニュース

「Biophysics and Physicobiology」にToru Ekimoto et al. “Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments”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。

Toru Ekimoto, Yuichi Kokabu, Tomotaka Oroguchi, Mitsunori Ikeguchi “Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments”

【Significance】
Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments

Protein dynamics are important for protein functions. To investigate protein dynamics, the combination of molecular
dynamics (MD) simulations and small-angle X-ray scattering (SAXS) experiments, known as the MD-SAXS method, has been shown to be useful. However, all-atom MD simulations are limited to the microsecond time scale, which is significantly shorter than the typical time scale of large-scale protein motions. To overcome the time-scale limitation in the all-atom MD simulations, we propose a combined method of coarse-grained (CG) MD simulations and SAXS, termed the CG-MD-SAXS method, which was successfully applied to flexible and large biomolecules such as nucleosomes.

Biophysics and Physicobiology, Vol.16, 377-390
URL: https://doi.org/10.2142/biophysico.16.0_377


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