Dynamic energy landscape view of coupled binding and protein conformational change: induced-fit versus population-shift mechanisms.

@article{Okazaki2008DynamicEL,
  title={Dynamic energy landscape view of coupled binding and protein conformational change: induced-fit versus population-shift mechanisms.},
  author={Kei-ichi Okazaki and Shoji Takada},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  year={2008},
  volume={105 32},
  pages={11182-7}
}
Allostery, the coupling between ligand binding and protein conformational change, is the heart of biological network and it has often been explained by two representative models, the induced-fit and the population-shift models. Here, we clarified for what systems one model fits better than the other by performing molecular simulations of coupled binding and conformational change. Based on the dynamic energy landscape view, we developed an implicit ligand-binding model combined with the double… CONTINUE READING

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