Protein Effects on the Excitation Energies and Exciton Dynamics of the CP24 Antenna Complex.

ABSTRACT: In this study, the site energy fluctuations, energy transfer dynamics, and some spectroscopic properties of the minor light-harvesting complex CP24 in a membrane environment were determined. For this purpose, a 3 μs-long classical molecular dynamics simulation was performed for the CP24 complex. Furthermore, using the density functional tight binding/molecular mechanics molecular dynamics (DFTB/MM MD) approach, we performed excited state calculations for the chlorophyll a and chlorophyll b molecules in the complex starting from five different positions of the MD trajectory. During the extended simulations, we observed variations in the site energies of the different sets as a result of the fluctuating protein environment. In particular, a water coordination to Chl-b 608 occurred only after

SUBMITTER: Sarngadharan P 

PROVIDER: S-EPMC11145653 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature