A quantum chemical study of the retinal of squid rhodopsin
Nagai, Yoshinori; Kito, Masashi; Kagawa, Hiroshi; Maddess, Ted
The squid retinal structure obtained from the Protein Data Bank (PDB ids 2Z73 and 2ZIY) is studied in a quantum chemistry method using MOPAC2009 based on a semi-empirical method with PM6 parametrization. The interaction between retinal and light (an electromagnetic field) is effectively described by the interaction between dipoles and electromagnetic fields. Thus we investigated the dipole moment and effective charge distribution of retinal. We also looked at molecular orbitals, especially the...[Show more]
|Collections||ANU Research Publications|
|Source:||Memoirs of the Kokushikan University Center for Information Science 32 (2011): 20-31|
|Nagai A quantum chemical 2011.pdf||519.76 kB||Adobe PDF|
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