Decoy Discrimination Using Contact Potentials Based on Delaunay Tessellation of Hydrated Proteins

@article{Reck2007DecoyDU,
  title={Decoy Discrimination Using Contact Potentials Based on Delaunay Tessellation of Hydrated Proteins},
  author={Gregory M. Reck and Iosif I. Vaisman},
  journal={4th International Symposium on Voronoi Diagrams in Science and Engineering (ISVD 2007)},
  year={2007},
  pages={159-167}
}
Three strategies are presented for developing a knowledge-based statistical contact potential from computationally hydrated proteins that may be useful in studies of protein folding and stability. The potentials employ a definition of nearest neighbor contact based on Delaunay tessellation that identifies quadruplets of neighboring residues. The potentials are derived from a large set of proteins with explicit waters of hydration to improve the representation of the protein environment. The… CONTINUE READING

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