Peptide backbone reconstruction using dead-end elimination and a knowledge-based forcefield

@article{Adcock2004PeptideBR,
  title={Peptide backbone reconstruction using dead-end elimination and a knowledge-based forcefield},
  author={Stewart A. Adcock},
  journal={Journal of computational chemistry},
  year={2004},
  volume={25 1},
  pages={16-27}
}
A novel, yet simple and automated, protocol for reconstruction of complete peptide backbones from C(alpha) coordinates only is described, validated, and benchmarked. The described method collates a set of possible backbone conformations for each set of residue triads from a structural library derived from the PDB. The optimal permutation of these three residue segments of backbone conformations is determined using the dead-end elimination (DEE) algorithm. Putative conformations are evaluated… CONTINUE READING

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