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.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Similar content being viewed by others
References
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)
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)
Stillinger, F.H., Head-Gordon, T., Hirshfel, C.L.: Toy model for protein folding. Phys. Rev. E48, 1469–1477 (1993)
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)
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)
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)
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)
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)
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)
Mansour, R.F.: Applying an evolutionary algorithm for protein structure prediction. Am. J. Bioinform. Res. 1, 18–23 (2011)
Wang, W.H.: Ordering of unicyclic graphs with perfect matching by minimal energies. MATCH Commun. Math. Comput. Chem. 66, 927–942 (2011)
Jin, X., Zhang, F.: The jones polynomial for polyhedral links. MATCH Commun. Math. Comput. Chem. 65(2), 501–520 (2011)
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)
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)
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)
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)
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)
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)
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)
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)
Nanda, D.J., Jaya, S.: Particle swarm optimization with backpacking in protein structure prediction problem. J. Mol. Model., pp. 734–738 (2012)
Gao, Y., Xie, S.L.: Particle swarm optimization algorithm based on simulated annealing. Comput. Eng. Appl. 40(1), 47–50 (2004)
Van, D.B.F., Engelbrecht, A.P.: A study of particle swarm optimization particle trajectories. Inf. Sci. 176(8), 937–971 (2006)
Bachmann, M., Arkin, H., Janke, W.: Multicanonical study of coarse-grained off-lattice models for folding heteropolymers. Phys. Rev. E 71, 031906 (2005)
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)
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)
Liu, J.F.: Structure optimization by heuristic algorithm in a coarse-grained off-lattice model. Chin. Phys. B 18, 2615–2621 (2009)
Li, W.Y., Wang, Y.: Multi-population genetic algorithm for three-dimensional protein structure prediction. Fujian Comput. 28(11), 20–24 (2012)
Pinar, C.: Backtracking search optimization algorithm for numerical optimization problems. Appl. Math. Comput. 219, 8121–8144 (2013)
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)
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)
Glover, F.: Future paths for integer programming and links to artificial intelligence. Comput. Oper. Res. 13, 533–549 (1986)
Glover, F., Kelly, J.P., Laguna, M.: Genetic algorithms and tabu search: hybrids for optimization. Comput. Oper. Res. 22(1), 111–134 (1995)
Hsu, H.P., Mehra, V., Grassberger, P.: Structure optimization in an off-lattice protein model. Phys. Rev. E 68(3), 1–4 (2003)
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
Corresponding author
Editor information
Editors and Affiliations
Rights 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)