||FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two tryptophans through cis- and trans-polyproline-linker systems
Kitoh-Nishioka, HirotakaAndo, Koji
The Journal of Chemical Physics
2016-09-16 , AIP Publishing
Long-distance electron transfer (ET) plays an essential role in biological energy conversion. [1–5] Representative is those in photosynthetic reaction centers in which photon energy is converted to electrochemical energy via series of ETs through redox centers embedded in transmembrane protein. A simple but fundamental question open to microscopic investigation is how the protein environment is involved in the ET; the protein structure could be involved passively by simply holding the redox centers at appropriate spatial configuration or actively by providing intermediate virtual states for superexchange ET mechanism.