Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

@article{Feig2004PerformanceCO,
  title={Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures},
  author={Michael Feig and Alexey V. Onufriev and Michael S. Lee and Wonpil Im and David A. Case and Charles L. Brooks},
  journal={Journal of Computational Chemistry},
  year={2004},
  volume={25}
}
This study compares generalized Born (GB) and Poisson (PB) methods for calculating electrostatic solvation energies of proteins. A large set of GB and PB implementations from our own laboratories as well as others is applied to a series of protein structure test sets for evaluating the performance of these methods. The test sets cover a significant range of native protein structures of varying size, fold topology, and amino acid composition as well as nonnative extended and misfolded structures… Expand
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