X-MACE enables data-efficient screening of GFP chromophore variants, showing that steric crowding on the phenolate ring accelerates non-radiative decay while conjugation extension suppresses it and prolongs fluorescence.
Neese, Software update: the orca program system—version 6.0, Wiley Interdiscip
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Transferable excited-state dynamics enable screening of fluorescent protein chromophores
X-MACE enables data-efficient screening of GFP chromophore variants, showing that steric crowding on the phenolate ring accelerates non-radiative decay while conjugation extension suppresses it and prolongs fluorescence.