Simulation analysis of the retinal conformational equilibrium in dark-adapted bacteriorhodopsin.

@article{Baudry1999SimulationAO,
  title={Simulation analysis of the retinal conformational equilibrium in dark-adapted bacteriorhodopsin.},
  author={J{\'e}r{\^o}me Baudry and Serge Crouzy and Beno{\^i}t Roux and Jeremy C. Smith},
  journal={Biophysical journal},
  year={1999},
  volume={76 4},
  pages={1909-17}
}
In dark-adapted bacteriorhodopsin (bR) the retinal moiety populates two conformers: all-trans and (13,15)cis. Here we examine factors influencing the thermodynamic equilibrium and conformational transition between the two forms, using molecular mechanics and dynamics calculations. Adiabatic potential energy mapping indicates that whereas the twofold… CONTINUE READING