Modeling Diffusive Motion of Ferredoxin and Plastocyanin on the PSI Domain of <i>Procholorococcus marinus</i> MIT9313.

ABSTRACT: Diffusion of mobile charge carriers, such as ferredoxin and plastocyanin, often constitutes a rate-determining step in photosynthetic energy conversion. The diffusion time scales typically exceed that of other primary bioenergetic processes and remain beyond the reach of direct simulation at the molecular level. We characterize the diffusive kinetics of ferredoxin and plastocyanin upon the photosystem I-rich domain of Prochlorococcus, the most abundant phototroph on Earth by mass. A modeling approach for ferredoxin and plastocyanin diffusion is presented that uses ensembles of coarse-grained molecular dynamics simulations in Martini 2.2P with GROMACS 2021.2. The simulation ensembles are used to construct the diffusion coefficient and drift for ferredoxin and plastocyanin as spatial

SUBMITTER: Chan A 

PROVIDER: S-EPMC12060261 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature