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題名 | The Early Stage of a β-Hairpin Folding--The Role of Water Molecules= |
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作者 | 李豐穎; 陳昱名; 游志強; 牟中原; Li, feng-yin; Chen, Yuming; You, Zhi-qiang; Mou, Chung-yuan; |
期刊 | Journal of the Chinese Chemical Society |
出版日期 | 20021000 |
卷期 | 49:5 2002.10[民91.10] |
頁次 | 頁783-789 |
分類號 | 341 |
語文 | eng |
關鍵詞 | Protein folding; β-hairpin; Hydration; |
英文摘要 | Water has been shown to play a crucial role in stability and catalytical function. Our purpose is to understand the salvation behavior of water molecules during the folding process, in particular, a deca-peptide β-hairpin folding. We performed molecular dynamics simulation by employing AMBER6.0 with an explicit water model. The results indicate that water molecules surrounding a biomolecule can be categorized into at least three shells. |
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