Skip to main content

3D Protein Structure Prediction with BSA-TS Algorithm

  • Conference paper
  • First Online:
Trends in Applied Knowledge-Based Systems and Data Science (IEA/AIE 2016)

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 9799))

Abstract

Three-dimensional protein spatial structure prediction with the amino acid sequence can be converted to a global optimization problem of a multi-variable and multimodal function. This article uses an improved hybrid optimization algorithm named BSA-TS algorithm which combines Backtracking Search Optimization Algorithm (BSA) with Tabu Search (TS) Algorithm to predict the structure of protein based on the three-dimensional AB off-lattice model. It combines the advantage of BSA which has a simple and efficient algorithm framework, less control parameters and less sensitivity to the initial value of the control parameters and the advantage of TS which has a strong ability for the global neighborhood search, and can better overcome the shortcomings of traditional algorithms which have slow convergence rate and are easy to fall into local optimum. At last we experiment in some Fibonacci sequences and real protein sequences which are widely used in protein spatial structure prediction, and the experimental results show that the hybrid algorithm has good performance and accuracy.

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 EPUB and 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

References

  1. Lin, X.L., Zhang, X.L., Zhou, F.L.: Protein structure prediction with local adjust Tabu search algorithm. BMC Bioinformatics 15(Suppl 15), S1 (2014)

    Article  Google Scholar 

  2. Lin, C.J., Shih, C.S.: Protein 3D HP model folding simulation using a hybrid of genetic algorithm and particle swarm optimization. Int. J. Fuzzy Syst. 13(2), 140–147 (2011)

    MathSciNet  Google Scholar 

  3. Stillinger, F.H., Head-Gordon, T., Hirshfel, C.L.: Toy model for protein folding. Phys. Rev. E48, 1469–1477 (1993)

    Google Scholar 

  4. Custódio, F.L., Barbosa, H.J.C., Dardenne, L.E.: A multiple minima genetic algorithm for protein structure prediction. Appl. Soft Comput. 15, 88–99 (2014)

    Article  Google Scholar 

  5. Liu, J.F., Song, B.B., Yao, Y.L., Yu, X., Liu, W.J., Liu, Z.X.: Wang-Landau sampling in face-centered-cube hydrophobic-hydrophilic lattice model proteins. Phys. Rev. E 90(3), 042715 (2014)

    Article  Google Scholar 

  6. Liu, J.F., Li, G., Yu, J., Yao, Y.L.: Heuristic energy landscape paving for protein folding simulation in the three-dimensional HP lattice model. Comput. Biol. Chem. 38(3), 17–26 (2012)

    Article  Google Scholar 

  7. Irback, A., Peterson, C., Potthast, F., Sommelius, O.: Local interactions and protein folding: a three-dimensional off-lattice approach. J. Chem. Phys. 107, 273–282 (1997)

    Article  Google Scholar 

  8. Li, B., Chiong, R., Lin, M.: A balance-evolution artificial bee colony algorithm for protein structure optimization based on a three-dimensional AB off-lattice model. Comput. Biol. Chem. 54, 1–12 (2015)

    Article  MathSciNet  Google Scholar 

  9. Liu, J.F., Sun, Y.Y., Li, G., Song, B.B., Huang, W.B.: Heuristic-based tabu search algorithm for folding two-dimensional AB off-lattice model proteins. Comput. Biol. Chem. 47(3), 142–148 (2013)

    Article  Google Scholar 

  10. Mansour, R.F.: Applying an evolutionary algorithm for protein structure prediction. Am. J. Bioinform. Res. 1, 18–23 (2011)

    Article  Google Scholar 

  11. Wang, W.H.: Ordering of unicyclic graphs with perfect matching by minimal energies. MATCH Commun. Math. Comput. Chem. 66, 927–942 (2011)

    MathSciNet  MATH  Google Scholar 

  12. Jin, X., Zhang, F.: The jones polynomial for polyhedral links. MATCH Commun. Math. Comput. Chem. 65(2), 501–520 (2011)

    MathSciNet  MATH  Google Scholar 

  13. Guo, H., Lv, Q., Wu, J.Z., Xu, H., Qian, P.: Solving 2D HP protein folding problem by parallel ant colonies. In: International Conference on Biomedical Engineering and Informatics, pp. 1–5 (2009)

    Google Scholar 

  14. Zhou, C.J., Hou, C.X., Zhang, Q., Wei, X.P.: Enhanced hybrid search algorithm for protein structure prediction using the 3D-HP lattice model. J. Mol. Model. 19(9), 3883–3891 (2013)

    Article  Google Scholar 

  15. Guo, H., Lan, R., Chen, X., Wang, Y.X.: Tabu search-particle swarm algorithm for protein folding prediction. Comput. Eng. Appl. 47(24), 46–50 (2011)

    Google Scholar 

  16. Chen, X., Lv, M.W., Zhao, L.H., Zhang, X.D.: An improved particle swarm optimization for protein folding prediction. Int. J. Inf. Eng. Electron. Bus. 3(1), 1–8 (2011)

    Article  Google Scholar 

  17. Zhou, C.J., Hou, C.X., Wei, X.P., Zhang, Q.: Improved hybrid optimization algorithm for 3D protein structure prediction. J. Mol. Model. 20(7), 1–12 (2014)

    Article  Google Scholar 

  18. Li, Y.Z., Zhou, C.J., Zheng, X.D.: Artificial bee colony algorithm for the protein structure prediction based on the Toy model. Fundamenta Informaticae 136(3), 241–252 (2015)

    MathSciNet  MATH  Google Scholar 

  19. Mario, G.F., Eduardo, R.T., Gregorio, T.P.: Comparative analysis of different evaluation functions for protein structure prediction under the HP model. J. Comput. Sci. Technol. 28(5), 868–889 (2013)

    Article  Google Scholar 

  20. Zhang, X.L., Wang, T., Luo, H.P., Yang, J.Y., Deng, Y.P., Tang, J.S., Yang, M.Q.: 3D protein structure prediction with genetic tabu search algorithm. BMC Syst. Biol. 4(Suppl 1), S6 (2010)

    Article  Google Scholar 

  21. Nanda, D.J., Jaya, S.: Particle swarm optimization with backpacking in protein structure prediction problem. J. Mol. Model., pp. 734–738 (2012)

    Google Scholar 

  22. Gao, Y., Xie, S.L.: Particle swarm optimization algorithm based on simulated annealing. Comput. Eng. Appl. 40(1), 47–50 (2004)

    Google Scholar 

  23. Van, D.B.F., Engelbrecht, A.P.: A study of particle swarm optimization particle trajectories. Inf. Sci. 176(8), 937–971 (2006)

    Article  MathSciNet  MATH  Google Scholar 

  24. 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 

  25. 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 

  26. Kim, J., Straub, J.E., Keyes, T.: Structure optimization and folding mechanisms of off-lattice protein models using statistical temperature molecular dynamics simulation: statistical temperature annealing. Phys. Rev. E 76, 011913 (2007)

    Article  Google Scholar 

  27. Liu, J.F.: Structure optimization by heuristic algorithm in a coarse-grained off-lattice model. Chin. Phys. B 18, 2615–2621 (2009)

    Article  Google Scholar 

  28. Li, W.Y., Wang, Y.: Multi-population genetic algorithm for three-dimensional protein structure prediction. Fujian Comput. 28(11), 20–24 (2012)

    Google Scholar 

  29. Pinar, C.: Backtracking search optimization algorithm for numerical optimization problems. Appl. Math. Comput. 219, 8121–8144 (2013)

    MathSciNet  MATH  Google Scholar 

  30. Wang, X.J., Liu, S.Y., Tian, W.K.: Backtracking search optimization algorithm with high efficiency mutation scale factor and greedy crossover strategy. Comput. Appl. 34(9), 2543–2546 (2014)

    Google Scholar 

  31. Zhang, X., Cheng, W.: An improved Tabu search algorithm for 3D protein folding problem. In: Ho, T.-B., Zhou, Z.-H. (eds.) PRICAI 2008. LNCS (LNAI), vol. 5351, pp. 1104–1109. Springer, Heidelberg (2008)

    Chapter  Google Scholar 

  32. Glover, F.: Future paths for integer programming and links to artificial intelligence. Comput. Oper. Res. 13, 533–549 (1986)

    Article  MathSciNet  MATH  Google Scholar 

  33. Glover, F., Kelly, J.P., Laguna, M.: Genetic algorithms and tabu search: hybrids for optimization. Comput. Oper. Res. 22(1), 111–134 (1995)

    Article  MATH  Google Scholar 

  34. Hsu, H.P., Mehra, V., Grassberger, P.: Structure optimization in an off-lattice protein model. Phys. Rev. E 68(3), 1–4 (2003)

    Article  Google Scholar 

Download references

Acknowledgment

This work is supported by the National Natural Science Foundation of China (Nos. 61425002, 61402066, 61402067, 31370778, 61370005), Program for Changjiang Scholars and Innovative Research Team in University (No. IRT_15R07), the Program for Liaoning Innovative Research Team in University (No. LT2015002), the Basic Research Program of the Key Lab in Liaoning Province Educational Department (Nos. LZ2014049, LZ2015004), the Project Supported by Natural Science Foundation of Liaoning Province (No. 2014020132), and by the Project Supported by Scientific Research Fund of Liaoning Provincial Education (No. L2014499).

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Qiang Zhang .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2016 Springer International Publishing Switzerland

About this paper

Cite this paper

Xu, Y., Zhou, C., Zhang, Q., Wang, B. (2016). 3D Protein Structure Prediction with BSA-TS Algorithm. In: Fujita, H., Ali, M., Selamat, A., Sasaki, J., Kurematsu, M. (eds) Trends in Applied Knowledge-Based Systems and Data Science. IEA/AIE 2016. Lecture Notes in Computer Science(), vol 9799. Springer, Cham. https://doi.org/10.1007/978-3-319-42007-3_38

Download citation

  • DOI: https://doi.org/10.1007/978-3-319-42007-3_38

  • Published:

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-42006-6

  • Online ISBN: 978-3-319-42007-3

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics