ニュース

「Biophysics and Physicobiology」にBang-Chieh Huang et al. “Molecular dynamics simulations and linear response theories jointly describe biphasic responses of myoglobin relaxation and reveal evolutionarily conserved frequent communicators”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。

Bang-Chieh Huang, Lee-Wei Yang “Molecular dynamics simulations and linear response theories jointly describe biphasic responses of myoglobin relaxation and reveal evolutionarily conserved frequent communicators”

【Significance】
MD and LRT jointly describe biphasic myoglobin relaxation and reveal evolutionarily conserved frequent communicators

We provide a general time-dependent linear response theory to describe molecular allostery that does and does not involve protein conformational changes (the latter is referred to as dynamic allostery), validated using biphasic Ultraviolet Resonance Raman (UVRR) data. The theory also described acoustic-wave-validated mechanical signal propagation in and across secondary structural elements, the results of which suggested the importance of tertiary packing in proteins. We further discovered frequent “communicators” via a newly devised communication matrix tallying pairwise communication in short time intervals when perturbations were initiated in every residue along 21 evenly distributed directions. The communicators were found to be evolutionarily conserved, including those distant from the heme.

Biophysics and Physicobiology, Vol.16, 473-484
URL:https://doi.org/10.2142/biophysico.16.0_473


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