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Concerted Asynchronous Proton Transfer in H-Bonding Relay Model: An Implication of Green Fluorescent Protein
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  • Concerted Asynchronous Proton Transfer in H-Bonding Relay Model: An Implication of Green Fluorescent Protein
  • Concerted Asynchronous Proton Transfer in H-Bonding Relay Model: An Implication of Green Fluorescent Protein
저자명
Kang. Baotao,Karthikeyan. S.,Jang. Du-Jeon,Kim. Heeyoung,Lee. Jin Yong
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2013년|34권 7호|pp.1961-1966 (6 pages)
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대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Theoretical investigations have been performed for the ground state ($S_0$) and the first excited state ($S_1$) of the hydrogen bonded green fluorescent protein (GFP) model. The potential energy surface (PESs) of $S_0$ was obtained by B3LYP method and that of $S_1$ was obtained by CIS method. Based on the relative stabilities of species and the energy barriers for the proton transfer, it was found that proton transfer could take place both under the ground state and the first excited state. As determined by the proton motions along the reaction coordinate, both the ground state proton transfer (GSPT) and the excited state proton transfer (ESPT) are considered as a concerted and asynchronous process.