Occluded molecular surface: analysis of protein packing.

  title={Occluded molecular surface: analysis of protein packing.},
  author={Nagarajan Pattabiraman and Keith B. Ward and Patrick J. Fleming},
  journal={Journal of molecular recognition : JMR},
  volume={8 6},
We describe a novel method to calculate the packing interactions in protein structural models. The method calculates the interatomic occluded surface areas for each atom in the protein model. The identification of, and degree of interaction with, neighboring atoms is accomplished by extending surface normals from a dot surface of each atom to the point of intersection with neighboring atoms. The combined occluded and non-occluded surface areas may be normalized for the amino acid composition of… CONTINUE READING

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