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 |
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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 |