Some fundamental aspects of building protein structures from fragment libraries.

@article{Holmes2004SomeFA,
  title={Some fundamental aspects of building protein structures from fragment libraries.},
  author={J. Bradley Holmes and Jerry Tsai},
  journal={Protein science : a publication of the Protein Society},
  year={2004},
  volume={13 6},
  pages={1636-50}
}
We have investigated some of the basic principles that influence generation of protein structures using a fragment-based, random insertion method. We tested buildup methods and fragment library quality for accuracy in constructing a set of known structures. The parameters most influential in the construction procedure are bond and torsion angles with minor inaccuracies in bond angles alone causing >6 A CalphaRMSD for a 150-residue protein. Idealization to a standard set of values corrects this… CONTINUE READING
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