QM/MM modeling of environmental effects on electronic transitions of the FMO complex

• Main Authors: Gao, Junkuo, Shi, Wu-Jun, Ye, Jun, Wang, Xiaoqing, Hirao, Hajime, Zhao, Yang
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2013
• Subjects: DRNTU::Science::Chemistry::Biochemistry
• Online Access: https://hdl.handle.net/10356/96601; http://hdl.handle.net/10220/9953
• Institution: Nanyang Technological University

The Fenna–Matthews–Oslon (FMO) light harvesting pigment–protein complex in green sulfur bacteria transfers the excitation energy from absorbed sunlight to the reaction center with almost 100% quantum efficiency. The protein-pigment coupling (part of the environmental effects) is believed to play an...