ニュース

2016年02月15日 掲載 (Published 02/15/2016)


「Biophysics and Physicobiology」に Yu Takano et al. Density functional study of molecular interactions in secondary structures of proteins”を掲載

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。

Yu Takano, Ayumi Kusaka and Haruki Nakamura    
“Density functional study of molecular interactions in secondary structures of proteins”

【Significance】
Molecular interactions in protein secondary structures, α-helices and β-sheets

We have investigated the molecular interactions in α-helices and β-sheets, using density functional theory, and elucidated the characteristics of the stability of antiparallel and parallel β-sheets and α-helices. Two types of stabilization were found in the formation of the antiparallel β-sheet. Hydrogen bonds in the antiparallel β-sheet were more stable than those in the parallel β-sheet, because the hydrogen bond structures of the antiparallel β-sheet were closer to those of the optimized hydrogen bonded formamide dimer. In addition, our computational results also lead to the improvement of the force field.


Biophysics and Physicobiology, Vol.13, pp. 27-35

URL:https://www.jstage.jst.go.jp/article/biophysico/13/0/13_27/_article