ニュース

「Biophysics and Physicobiology」にNatsuki Mukuta et al. “Potential energy landscape and thermodynamic transitions of coarse-grained protein models revealed by the multicanonical generalized hybrid Monte Carlo method”を掲載

2020年02月17日 学会から

日本生物物理学会欧文誌[Biophysics and Physicobiology]に以下の論文が早期公開されました。

Natsuki Mukuta, Shinichi Miura “Potential energy landscape and thermodynamic transitions of coarse-grained protein models revealed by the multicanonical generalized hybrid Monte Carlo method”

【Significance】
Statistical ensemble dependence of the caloric curve for proteins

Coarse-grained protein models studied exhibit two thermodynamic transitions: the collapse transition between random coil and spatially compact, but non-native states and the folding transition between the collapse and native states. Caloric curve for a fast folding model shows strong statistical ensemble dependenc especially around the collapse transition, while almost no ensemble dependence is found for a slow folder. Microcanonical caloric curve for the fast folder exhibits S-shaped temperature dependence on the internal energy around the collapse transition; the corresponding microcanonical heat capacity is found to have negative region around the transition. This kind of exotic behaviors could be utilized to distinguish fast folding proteins.

公開 3月10日 Biophysics and Physicobiology, Vol.17, pp.14-24
URL:https://doi.org/10.2142/biophysico.BSJ-2019051


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