Article
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins.
Physical chemistry chemical physics : PCCP - 7 Apr 2013
Beerepoot Maarten T P, Steindal Arnfinn Hykkerud, Kongsted Jacob, Brandsdal Bjørn Olav, Frediani Luca, Ruud Kenneth, Olsen Jógvan Magnus Haugaard
Abstract excerpt
A theoretical study of the one-photon absorption of five fluorescent proteins (FPs) is presented. The absorption properties are calculated using a polarizable embedding approach combined with density functional theory (PE-DFT) on the wild-type green fluorescent protein (wtGFP) and several of its mutants (BFP, eGFP, YFP and eCFP). The observed trends in excitation energies among the FPs are reproduced by our...
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