Structures and spectra of molecular systems modeling proteins of the green fluorescent protein (GFP) family will be discussed with an emphasis on studies of different protonation forms of their chromophores.  The results of recent quantum-based simulations of proton transfer routes in the ground and excited electronic states leading to different populations of chromophore sites will be considered for variants of GFP and asFP595.

Simulations of proton transfer routes in proteins of the green fluorescent protein family

248th National Meeting (2014)

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