Concerted Asynchronous Proton Transfer in H-Bonding Relay Model: An Implication of Green Fluorescent Protein

Bulletin of the Korean chemical society

Heeyoung Kim¹  Baotao Kang¹  Du-Jeon Jang¹  S. Karthikeyan¹  Jin Yong Lee¹ 

关键词: Green fluorescent protein;    Proton transfer;    Concerted;    Asynchronous;    Theoretical;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

Theoretical investigations have been performed for the ground state (S0) and the first excited state (S1) of the hydrogen bonded green fluorescent protein (GFP) model. The potential energy surface (PESs) of S0 was obtained by B3LYP method and that of S1 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.

【 授权许可】

Unknown