[Published online Journal of Computer Chemistry, Japan Vol.20, 97-99, by J-STAGE]
<Title:> ヘモグロビンのアロステリック制御に関するデータ科学的研究
<Author(s):> 田中 美帆, 高橋 由芽, 高見 慧, 北村 勇吉, 長岡 正隆
<Corresponding author E-Mill:> kitamura.yuhkichi(at)shizuoka.ac.jp
<Abstract:> In this letter, we investigated the contribution of bridging hydrogen bonds (BHB) via Cl– on the T-R transition of human adult hemoglobin (HbA). We applied the time-series clustering method to time-series data of the αβ dimer rotation angle φ and the total number of the BHBs. Compared with the above two results, we have concluded that Cl–-BHBs do not significantly contribute to the structural regulation of HbA.
<Keywords:> Keyword Hemoglobin, Allostery regulation, Chloride ion, Bridging hydrogen bond, Time-series clustering method
<URL:> https://www.jstage.jst.go.jp/article/jccj/20/3/20_2021-0045/_article/-char/ja/
<Title:> ヘモグロビンのアロステリック制御に関するデータ科学的研究
<Author(s):> 田中 美帆, 高橋 由芽, 高見 慧, 北村 勇吉, 長岡 正隆
<Corresponding author E-Mill:> kitamura.yuhkichi(at)shizuoka.ac.jp
<Abstract:> In this letter, we investigated the contribution of bridging hydrogen bonds (BHB) via Cl– on the T-R transition of human adult hemoglobin (HbA). We applied the time-series clustering method to time-series data of the αβ dimer rotation angle φ and the total number of the BHBs. Compared with the above two results, we have concluded that Cl–-BHBs do not significantly contribute to the structural regulation of HbA.
<Keywords:> Keyword Hemoglobin, Allostery regulation, Chloride ion, Bridging hydrogen bond, Time-series clustering method
<URL:> https://www.jstage.jst.go.jp/article/jccj/20/3/20_2021-0045/_article/-char/ja/
