The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution.

@article{Coto2006TheCO,
  title={The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution.},
  author={Pedro B. Coto and Angela Strambi and Nicolas Ferr{\'e} and Massimo Olivucci},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  year={2006},
  volume={103 46},
  pages={17154-9}
}
We demonstrate that "brute force" quantum-mechanics/molecular-mechanics computations based on ab initio (i.e., first principles) multiconfigurational perturbation theory can reproduce the absorption maxima of a set of modified bovine rhodopsins with an accuracy allowing for the analysis of the factors determining their colors. In particular, we show that the theory accounts for the changes in excitation energy even when the proteins display the same charge distribution. Three color-tuning… CONTINUE READING