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Li, Zhong-Wei,Min, Chun-Gang,Ren, Ai-Min,Guo, Jing-Fu,Goddard, John D.,Feng, Ji-Kang,Zuo, Liang Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.4
In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.
Zhong-wei Li,Chun-gang Min,Ai-min Ren,Jing-fu Guo,John D. Goddard,Ji-kang Feng,Liang Zuo 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.4
In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.