Ab initio study of the optical properties of green fluorescent protein

Abstract

In the present we focus on the optical properties of the Green Fluorescent Protein (GFP), which are modelled using the state-of-the-art computational tools availeable up to date: the Density Functional Theory (DFT) in the Hybrid QM/MM approach is employed to access the ground state configuration of the chromphore in the protein environment, while Time-Dependent DFT and quantum Monte Carlo (QMC) relate the geometry to the abserved absorption spectra.