https://www.selleckchem.com/pr....oducts/gsk591-epz015
To elucidate the energy transfer mechanism of the PE545 light-harvesting complex, an exciton model is constructed with the full Hamiltonian obtained from structure-based calculations. The electronic couplings and spectral densities are evaluated on the basis of the site energies and transition dipole moments obtained from our recent Molecular Dynamics-Quantum Mechanical/Molecular Mechanical (MD-QM/MM) study [Tong et al., J. Phys. Chem. B 123, 2040-2049 (2019)]. The polarized protein-specific charge model is employed
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