Skip to main content

Genetic-Annealing Algorithm for 3D Off-lattice Protein Folding Model

  • Conference paper
Emerging Technologies in Knowledge Discovery and Data Mining (PAKDD 2007)

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 4819))

Included in the following conference series:

Abstract

This paper presents a model used to deal with three-dimensional off-lattice AB protein folding. The model is extended from genetic-annealing algorithm that is for the two-dimensional off-latticeAB protein model. The three-dimensional model also has only two types of residues, hydrophobic and hydrophilic. Based on a physical model, the problem is converted from a nonlinear constraint-satisfied problem to an unconstrained optimization problem. Also, in contrast to earlier studies using off-lattice AB models, our results demonstrate that the proposed methods are very promising for searching the ground states of protein folding in three dimensions.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Anfinsen, C.B.: Principles that govern the folding of protein chains. Science 181, 223 (1973)

    Article  Google Scholar 

  2. Kim, S.-Y., Lee, S.B., Lee, J.: Structure optimization by conformational space annealing in an off-lattice protein model. Phys. Rev. E 72, 011916 (2005)

    Article  Google Scholar 

  3. Bachmann, M., Arkin, H., Janke, W.: Multicanonical study of coarse-grained off-lattice models for folding heteropolymers. Phys. Rev. E 71, 031906 (2005)

    Article  MathSciNet  Google Scholar 

  4. Hsu, H.-P., Mehra, V., Grassberger, P.: Structure optimization in an off-lattice protein model. Phys. Rev. E 68, 037703 (2003)

    Article  Google Scholar 

  5. Lau, K.F., Dill, K.A.: A lattice statistical mechanics model of the conformational and sequence space of proteins. Macromolecules 22, 3986 (1989)

    Article  Google Scholar 

  6. Stillinger, F.H., Head-Gordon, T., Hirshfel, C.L.: Toy model for protein folding. Physical review, E 48, 1469–1477 (1993)

    Article  Google Scholar 

  7. Zhang, X., Lin, X.: Protein folding prediction using an improved genetic-annealing algorithm. Proceedings of the 19th Australian Joint Conference on Artificial Intelligence (2006)

    Google Scholar 

  8. Zhang, X., Lin, X.: Effective protein folding prediction based on genetic- annealing algorithm in Toy model. In: 2006 Workshop on Intelligent Computing & Bioinformatics of CAS (2006)

    Google Scholar 

  9. Irback, A., Peterson, C., Potthast, F., Sommelius, O.: Local interactions and protein folding: A 3D off-lattice approach. J. Chem. Phys. 107, 273 (1997)

    Article  Google Scholar 

  10. Forrest, S.: Genetic algorithms: Principles of natural selection applied to computation. Science 261 (1993)

    Google Scholar 

  11. Dandekar, T., Argos, P.: Potential of genetic algorithms in protein folding and protein engineering simulations. Protein Engineering 5(7), 637 (1992)

    Article  Google Scholar 

  12. Meza, J.C., Judson, R.S., Faulkner, T.R., Treasurywala, A.M.: A comparison of a direct search method and a genetic algorithm for conformational searching. Journal of Computational Chemistry 17(9), 1142 (1996)

    Article  Google Scholar 

  13. Eglese, R.W.: Simulated annealing: A tool for operational research. European Journal of Operational Research 46, 271 (1990)

    Article  MATH  MathSciNet  Google Scholar 

  14. Liu, X., Yu, S.: A genetic algorithm with fast local adjustment. Chinese Journal of Computers 29, 100 (2006)

    Google Scholar 

  15. Stillinger, F.H.: Collective aspects of protein folding illustrated by a toy model. Physical Review, E 52, 2872 (1995)

    Article  Google Scholar 

  16. Liang, F.: Annealing contour Monte Carlo algorithm for structure optimization in an off-lattice protein model. J.Chem. Phys. 120, 6756 (2004)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Takashi Washio Zhi-Hua Zhou Joshua Zhexue Huang Xiaohua Hu Jinyan Li Chao Xie Jieyue He Deqing Zou Kuan-Ching Li Mário M. Freire

Rights and permissions

Reprints and permissions

Copyright information

© 2007 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Zhang, X., Lin, X., Wan, C., Li, T. (2007). Genetic-Annealing Algorithm for 3D Off-lattice Protein Folding Model. In: Washio, T., et al. Emerging Technologies in Knowledge Discovery and Data Mining. PAKDD 2007. Lecture Notes in Computer Science(), vol 4819. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-77018-3_20

Download citation

  • DOI: https://doi.org/10.1007/978-3-540-77018-3_20

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-77016-9

  • Online ISBN: 978-3-540-77018-3

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics