Allosteric mechanisms of nuclear receptors: insights from computational simulations.

  title={Allosteric mechanisms of nuclear receptors: insights from computational simulations.},
  author={Jonathan A G Mackinnon and Nerea Gallastegui and David J. Osguthorpe and Arnold T. Hagler and Eva Est{\'e}banez-Perpi{\~n}{\'a}},
  journal={Molecular and cellular endocrinology},
  volume={393 1-2},
The traditional structural view of allostery defines this key regulatory mechanism as the ability of one conformational event (allosteric site) to initiate another in a separate location (active site). In recent years computational simulations conducted to understand how this phenomenon occurs in nuclear receptors (NRs) has gained significant traction. These results have yield insights into allosteric changes and communication mechanisms that underpin ligand binding, coactivator binding site… CONTINUE READING

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