Energetic decomposition with the generalized-born and Poisson-Boltzmann solvent models: lessons from association of G-protein components.

@article{Carrascal2010EnergeticDW,
  title={Energetic decomposition with the generalized-born and Poisson-Boltzmann solvent models: lessons from association of G-protein components.},
  author={Noel Carrascal and David F Green},
  journal={The journal of physical chemistry. B},
  year={2010},
  volume={114 15},
  pages={5096-116}
}
Continuum electrostatic models have been shown to be powerful tools in providing insight into the energetics of biomolecular processes. While the Poisson-Boltzmann (PB) equation provides a theoretically rigorous approach to computing electrostatic free energies of solution in such a model, computational cost makes its use for large ensembles of states impractical. The generalized-Born (GB) approximation provides a much faster alternative, although with a weaker theoretical framework. While much… CONTINUE READING

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