Cyclic coordinate descent: A robotics algorithm for protein loop closure.

@article{Canutescu2003CyclicCD,
  title={Cyclic coordinate descent: A robotics algorithm for protein loop closure.},
  author={Adrian A. Canutescu and Roland L. Dunbrack},
  journal={Protein science : a publication of the Protein Society},
  year={2003},
  volume={12 5},
  pages={963-72}
}
In protein structure prediction, it is often the case that a protein segment must be adjusted to connect two fixed segments. This occurs during loop structure prediction in homology modeling as well as in ab initio structure prediction. Several algorithms for this purpose are based on the inverse Jacobian of the distance constraints with respect to dihedral angle degrees of freedom. These algorithms are sometimes unstable and fail to converge. We present an algorithm developed originally for… CONTINUE READING
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