A theoretical study on the optical absorption of green fluorescent protein chromophore in solutions
A theoretical study on the optical absorption of green fluorescent protein chromophore in solutions
复制标题
溶液中绿色荧光蛋白发色团光吸收的理论研究
DOI：
10.1080/08927022.2017.1315769
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Sato Hirofumi
中科院分区：
文献类型：
--
作者：
Kajita Ken;Nakano Hiroshi;Sato Hirofumi
4-（4-羟基苯基）亚甲基-2-甲基-5-氧代咪唑乙酸乙酯（HBMIA）是绿色荧光蛋白的模型发色团。用量子化学和统计力学的混合方法RISM-SCF-SEDD研究了HBMIA在水溶液相中的电子结构。本文的计算正确地再现了溶致变色位移。
Ethyl 4-(4-hydroxyphenyl) methylidene- 2-methyl-5-oxoimidazolacetate (HBMIA) is a model chromophore of green fluorescent protein. The electronic structure of HBMIA in aqueous solution phase is studied using a hybrid method of quantum chemistry and statistical mechanics, RISM-SCF-SEDD. The solvatochromic shift is correctly reproduced by the present computations.