Can we obtain accurate optical properties for disordered pigment protein complexes? In our new article published in PCCP we use fully atomistic description to simulate optical spectra of the LHCII based on the crystal structure and on MD simulations. We demonstrate that with the right MD sampling and atomistic simulations we can reach an accurate understanding of excitonic states and optical spectra.
Link: https://doi.org/10.1039/D0CP02492A
