Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation.

Abstract

A nuclear quantum dynamical simulation of the proton shuttle operating in the green fluorescent protein has been carried out on a high-quality, high-dimensionality potential energy surface describing the photoactive pipi* excited state, and including motion of both the three protons and of the donor and acceptor atoms of the hydrogen bonds in a closed… (More)
DOI: 10.1021/jp801169z

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