[Published online Journal of Computer Chemistry, Japan Vol.17, 235-236, by J-STAGE]
<Title:> 計算機化学を用いた天然ゴムの生合成過程解析
<Author(s):> 慶野 達也, 内田 希, 河原 成元, 秋山 和輝
<Corresponding author E-Mill:> tatsuya_keino(at)mst.nagaokaut.ac.jp
<Abstract:> Natural rubber is an excellent material in elasticity and abrasion resistance. However, the detailed structure and the reason for excellent physical properties of natural rubber are still unclear. We aimed to conduct a conformational search and structural analysis using computational chemistry and to elucidate the biosynthetic process of natural rubber. From the calculation results, as long as the catalyst (enzyme) required for each stage of the biosynthesis process exists, it turned out that the biosynthesis of natural rubber proceeded spontaneously.
<Keywords:> Natural rubber, Biosynthesis mechanism, MOPAC, PM7, COSMO method, Phosphate group
<URL:> https://www.jstage.jst.go.jp/article/jccj/17/5/17_2018-0048/_article/-char/ja/
