New optimization method for conformational energy calculations on polypeptides: Conformational space annealing

@article{Lee1997NewOM,
  title={New optimization method for conformational energy calculations on polypeptides: Conformational space annealing},
  author={Jooyoung Lee and Harold A. Scheraga and Shelly Rackovsky},
  journal={Journal of Computational Chemistry},
  year={1997},
  volume={18},
  pages={1222-1232}
}
A new optimization method is presented to search for the global minimum-energy conformations of polypeptides. The method combines essential aspects of the build-up procedure and the genetic algorithm, and it introduces the important concept of ‘‘conformational space annealing.’’ Instead of considering a single conformation, attention is focused on a population of conformations while new conformations are obtained by modifying a ‘‘seed conformation.’’ The annealing is carried out by introducing… CONTINUE READING

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References

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Showing 1-6 of 6 references

and B

  • W. H. Press, S. A. Teukolsky, W. T. Vetterling
  • P. Flannery, Numerical Recipes, Cambridge…
  • 1992

Ripoll and H . A . Scheraga , Biopolymers

  • K. D. Gibson, K. A. Palmer, +4 authors H. A. Scheraga
  • ACM Trans . Math . Software
  • 1988

A . A . Rabow and H . A . Scheraga , Protein Sci

  • M. N. Rosenbluth, E. Teller
  • 1987

and H

  • M. Vasque
  • A. Scheraga, Biopolymers, 24,
  • 1437

J

  • K. D. Gibson, H. A. Scheraga
  • Comput. Chem., 8, 826 Ž . 1987 . JOURNAL OF…
  • 1231

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