Pseudodihedrals: simplified protein backbone representation with knowledge-based energy.

  title={Pseudodihedrals: simplified protein backbone representation with knowledge-based energy.},
  author={Robert S. DeWitte and Eugene I. Shakhnovich},
  journal={Protein science : a publication of the Protein Society},
  volume={3 9},
Pairwise contact energies do not explicitly take protein secondary structure into account, and so provide an incomplete description of conformational energy. In order to construct a Hamiltonian that specifically relates to protein backbone conformations, a simplified backbone angle is used. The pseudodihedral angle (the torsion angle between planes defined by 4 consecutive alpha-carbon atoms) provides a simplified backbone representation and continues to manifest information about secondary… CONTINUE READING

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