Skip to main content

Automatic Classification of Protein Structures Based on Convex Hull Representation by Integrated Neural Network

  • Conference paper
Theory and Applications of Models of Computation (TAMC 2006)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 3959))

Abstract

The large scale deposited data and existing manual classification scheme make it possible to study the automatic classification of protein structures in machine learning framework. In this paper the classification system is constructed by an integrated feedforward neural network through incorporating the expert judgements and existing classification schemes into the learning procedure. Since different aspects of a protein structure may be relevant to various biological problems, the protein structure is represented by the convex hull of its backbone and geometric features are extracted. The training and prediction tests for different training sets in the class level of CATH indicate that the new automatic classification scheme is effective and efficient. Also the neural network model outperforms hidden markov model and support vector machine in the comparison experiment.

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

  • Baldi, P., Brunak, S.: Bioinformatics: The Machine Learning Approach. MIT Press, Cambridge (1998)

    Google Scholar 

  • Hubbard, T.J., Ailey, B., Brenner, S.E., Murzin, A.G., Chothia, C.: SCOP: A Structural Classification of Proteins Database. Nucleic Acids Research 27, 254–256 (1999)

    Article  Google Scholar 

  • Orengo, C.A., Michie, A.D., Jones, S., Jones, D.T., Swindells, M.B., Thornton, J.M.: CATH- A Hierarchic Classification of Protein Domain Structures. Structure 5, 1093–1108 (1997)

    Article  Google Scholar 

  • Holm, L., Sander, C.: Protein Structure Comparison by Alignment of Distance Matrices. Journal of Molecular Biology 233, 123–138 (1993)

    Article  Google Scholar 

  • Rogen, P., Fain, B.: Automatic Classification of Protein Structures by Using Gauss Integrals. Proceedings of the National Academy of Sciences 100, 119–124 (2003)

    Article  Google Scholar 

  • Hadley, C., Jones, D.T.: A Systematic Comparison of Protein Structure Classifications: SCOP, CATH and FSSP. Structure with Folding & Design 7, 1099–1112 (1999)

    Google Scholar 

  • Sierk, M.L., Pearson, W.R.: Sensitivity and Selectivity in Protein Structure Comparison. Protein Science 13, 773–785 (2004)

    Article  Google Scholar 

  • Zhang, X.S., Zhan, Z.W., Wang, Y., Wu, L.Y.: An Attempt to Explore the Similarity of Two Proteins by Their Surface Shapes. In: Operations Research and Its Applications, Lecture Notes in Operations Research, vol. 5, pp. 276–284. World Publishing Corporation, Beijing (2005)

    Google Scholar 

  • Zhang, X.S.: Neural Networks in Optimization. Nonconvex Optimization and Its Applications, vol. 46. Kluwer Academic Publishers, Dordrecht (2000)

    MATH  Google Scholar 

  • Chang, C.C., Lin, C.J.: LIBSVM: A Library for Support Vector Machines (2001), http://www.csie.ntu.edu.tw/cjlin/libsvm

  • Young, S.: The HTK Book version 3, Microsoft Corporation (2000)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2006 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Wang, Y., Wu, LY., Zhang, XS., Chen, L. (2006). Automatic Classification of Protein Structures Based on Convex Hull Representation by Integrated Neural Network. In: Cai, JY., Cooper, S.B., Li, A. (eds) Theory and Applications of Models of Computation. TAMC 2006. Lecture Notes in Computer Science, vol 3959. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11750321_48

Download citation

  • DOI: https://doi.org/10.1007/11750321_48

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-34021-8

  • Online ISBN: 978-3-540-34022-5

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics