ニュース

「Biophysics and Physicobiology」にYasumasa Joti et al. “Cancellation between auto- and mutual correlation contributions of protein/water dynamics in terahertz time-domain spectra”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。

Yasumasa Joti, Akio Kitao “Cancellation between auto- and mutual correlation contributions of protein/water dynamics in terahertz time-domain spectra”

【Significance】
Cancellation between auto- and mutual correlation contributions of protein/water dynamics in terahertz time-domain spectra

The temperature dependence of terahertz time-domain spectra (THz-TDS) is shown to differ significantly from that
of incoherent neutron scattering spectra (INSS) using molecular dynamics simulations of Staphylococcal nuclease at two hydration states in the temperature range between 100 and 300 K. The mutual correlation between distinct atomic fluctuations and water dynamics to THz-TDS, which are negligible in INSS, contributes to this difference. This work provides the first theoretical and computational analysis of the dynamical components that contribute to THz-TDS.

Biophysics and Physicobiology, Vol.16, 240-247
URL: https://doi.org/10.2142/biophysico.16.0_240


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