• DOI:10.1038/319199A0
Corpus ID: 21867582

Solvation energy in protein folding and binding

@article{Eisenberg1986SolvationEI,
  title={Solvation energy in protein folding and binding},
  author={D. Eisenberg and A. McLachlan},
  journal={Nature},
  year={1986},
  volume={319},
  pages={199-203}
}

D. Eisenberg, A. McLachlan

Published 1986

Chemistry, Medicine

Nature

We have developed a method for calculating the stability in water of protein structures, starting from their atomic coordinates. The contribution of each protein atom to the solvation free energy is estimated as the product of the accessibility of the atom to solvent and its atomic solvation parameter. Applications of the method include estimates of the relative stability of different protein conformations, estimates of the free energy of binding of ligands to proteins and atomic-level… CONTINUE READING

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