QM/MM trajectory surface hopping approach to photoisomerization of rhodopsin and isorhodopsin: The origin of faster and more efficient isomerization for rhodopsin

• Main Authors: Chung, Wilfredo Credo, Nanbu, Shinkoh, Ishida, Toshimasa
• Format: text
• Published: Animo Repository 2012
• Subjects: Rhodopsin; Photoisomerization; Chemistry
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3796; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4798/type/native/viewcontent/jp212378u.html
• Institution: De La Salle University

The photoinduced cis-trans isomerization dynamics of rhodopsin and isorhodopsin are studied using a newly developed hybrid QM/MM trajectory surface hopping MD scheme based on the Zhu-Nakamura theory for nonadiabatic transitions. Rhodopsin and isorhodopsin have 11-cis and 9-cis forms of retinal as ch...