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Importance of the I...
Importance of the Intramolecular Hydrogen Bond on the Photochemistry of Anionic Hydroquinone (FADH-) in DNA Photolyase
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- Ai, Yuejie (författare)
- KTH,Teoretisk kemi
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- Zhang, Feng (författare)
- KTH,Teoretisk kemi
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Chen, Shufeng (författare)
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- Luo, Yi (författare)
- KTH,Teoretisk kemi
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Fang, Weihai (författare)
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(creator_code:org_t)
- 2010-01-29
- 2010
- Engelska.
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Ingår i: The Journal of Physical Chemistry Letters. - U. S. A. : American Chemical Society. - 1948-7185. ; 1, s. 743-747
- Relaterad länk:
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http://pubs.acs.org/...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The design of a proper molecular model with a good balance between the size of the model system and the computational capacity is essential for theoretical modeling of biological systems. We have shown in this letter that the often used model system, a lumiflavin (7,8-dimethy-10-methyl-isoalloxazine), can not correctly describe geometrical and electronic structures of FADH− in DNA photolyase. The intramolecular hydrogen bond between the isoalloxazine ring and the ribityl moiety is found to play a significant role in controlling photochemical properties of FADH− in DNA photolyase
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- flavin
- intramolecular hydrogen bonding
- excited states
- Theoretical chemistry
- Teoretisk kemi
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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