2016年9月
Local thermodynamics of the water molecules around single- and double-stranded DNA studied by grid inhomogeneous solvation theory
CHEMICAL PHYSICS LETTERS
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- 巻
- 660
- 号
- 1
- 開始ページ
- 250
- 終了ページ
- 255
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1016/j.cplett.2016.08.032
- 出版者・発行元
- ELSEVIER SCIENCE BV
Thermodynamic properties of water molecules around single- and double-stranded DNAs (ssDNAs and dsDNAs) with different sequences were investigated using grid inhomogeneous solvation theory. Free energies of water molecules solvating the minor groove of dsDNAs are lower than those near ssDNAs, while water molecules should be released during the formation of dsDNA. Free energies of water molecules around dsDNA are lower than those around ssDNA even in the second and third hydration shells. Our findings will help to clarify the role of water molecules in the formation of dsDNA from ssDNAs, thus facilitating the designs of drugs or nanomaterials using DNA. (C) 2016 Elsevier B.V. All rights reserved.
- リンク情報
- ID情報
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- DOI : 10.1016/j.cplett.2016.08.032
- ISSN : 0009-2614
- eISSN : 1873-4448
- Web of Science ID : WOS:000384787600044