スギモリ キミカズ
  杉森 公一
   所属   高等教育推進センター
   職種   教授
言語種別 英語
発行・発表の年月 2014
形態種別 学術論文
査読 査読あり
標題 Solvent site-dipole Fields around Guanine Nucleotides in the Hras-GTP Complex and in the Hras-GDP Complex
執筆形態 共著
掲載誌名 TIMES OF POLYMERS (TOP) AND COMPOSITES 2014
掲載区分国外
出版社・発行元 AMER INST PHYSICS
巻・号・頁 1599,pp.322-325
著者・共著者 Takeshi Miyakawa,Ryota Morikawa,Masako Takasu,Kimikazu Sugimori,Kazutomo Kawaguchi,Hiroaki Saito,Hidemi Nagao
概要 Directional correlation of solvent site-dipole field, resulting from orientational ordering of individual water molecules around guanine nucleotides in the Hras-GTP complex and in the Hras-GDP complex, was studied with molecular dynamics simulations of the Hras-GTP and the Hras-GDP complexes in water solution. The coarse-grained time-window-averaged site-dipole fields are different between Hras-GTP and Hras-GDP at some area, although the time-window-averaged site-dipole fields without spatial coarse-graining are not so different. This suggests that, for the orientation of water molecules at special position, the spatial coherence is more important than the temporal coherence for GTP hydrolysis in the Hras-GTP complex.
DOI 10.1063/14876843
ISSN 0094243X