Ontology highlight
ABSTRACT:
SUBMITTER: Chaillet ML
PROVIDER: S-EPMC7751012 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Chaillet Marten L ML Lengauer Florian F Adolphs Julian J Müh Frank F Fokas Alexander S AS Cole Daniel J DJ Chin Alex W AW Renger Thomas T
The journal of physical chemistry letters 20201123 24
Inhomogeneous broadening of optical lines of the Fenna-Matthews-Olson (FMO) light-harvesting protein is investigated by combining a Monte Carlo sampling of low-energy conformational substates of the protein with a quantum chemical/electrostatic calculation of local transition energies (site energies) of the pigments. The good agreement between the optical spectra calculated for the inhomogeneous ensemble and the experimental data demonstrates that electrostatics is the dominant contributor to st ...[more]