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On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study
- Source :
-
Chemical Physics Letters . Dec2006, Vol. 432 Issue 1-3, p252-256. 5p. - Publication Year :
- 2006
-
Abstract
- Abstract: Color-tuning mechanism of Human-Blue pigment, visual color-receptor in the cone cells of the eye, has been investigated. Based on a previous Homology-modeling structure and experimental evidences, a working model was constructed, and the structure has been optimized by QM(B3LYP)/MM(AMBER) method. SAC-CI calculation was performed to obtain photo-absorption energy. The calculated absorption energy reasonably agrees with the experiment. A decomposition analysis was performed and compared with the case of Bovine rhodopsin. The electrostatic effect from the opsin is primarily important for the color-tuning. The electronic interaction (quantum effect) of the counter-residue is indispensable for quantitative calculation of the absorption energy. [Copyright &y& Elsevier]
- Subjects :
- *ABSORPTION
*HOMOLOGY (Biology)
*BIOLOGICAL classification
*MORPHOLOGY
Subjects
Details
- Language :
- English
- ISSN :
- 00092614
- Volume :
- 432
- Issue :
- 1-3
- Database :
- Academic Search Index
- Journal :
- Chemical Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 23220702
- Full Text :
- https://doi.org/10.1016/j.cplett.2006.10.011