Skip to main content

Protein-Protein Interaction Affinity Prediction Based on Interface Descriptors and Machine Learning

  • Conference paper

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 7390))

Abstract

Knowing the protein-protein interaction affinity is important for accurately inferring the time dimensionality of the dynamic protein-protein interaction networks from a viewpoint of systems biology. The accumulation of the determined protein complex structures with high resolution facilitates to realize this ambitious goal. Previous methods on protein-protein interaction affinity (PPIA) prediction have achieved great success. However, there is still a great space to improve prediction accuracy. Here, we develop a support vector regression method to infer highly heterogeneous protein-protein interaction affinities based on interface properties. This method takes full advantage of the labels of the interaction pairs and greatly reduces the dimensionality of the input features. Results show that the supervised machine leaning methods are effective with R=0.80 and SD=1.41 and perform well when applied to the prediction of highly heterogeneous or generic PPIA. Comparison of different types of interface properties shows that the global interface properties have a more stable performance while the smoothed PMF obtains the best prediction accuracy.

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

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
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

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Zhang, J.S., Maslov, S., Shakhnovich, E.I.: Constraints Imposed by Non-functional Protein-protein Interactions on Gene Expression and Proteome Size. Molecular Systems Biology 4, 210 (2008)

    Article  Google Scholar 

  2. Kollman, P.A., Massova, I., Reyes, C., Kuhn, B., Huo, S., Chong, L., Lee, M., Lee, T., Duan, Y., Wang, W., Donini, O., Cieplak, P., Srinivasan, J., Case, D.A., Cheatham, T.E.: 3rd: Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models. Acc Chem. Res. 33, 889–897 (2000)

    Article  Google Scholar 

  3. Bohm, H.J.: Prediction of Binding Constants of Protein Ligands: A Fast Method for The Prioritization of Hits Obtained from De Novo Design or 3D Database Search Programs. J. Comput. Aided Mol. Des. 12, 309–323 (1998)

    Article  Google Scholar 

  4. Melo, F., Feytmans, E.: Novel Knowledge-based Mean Force Potential at Atomic Level. J. Mol. Biol. 267, 207–222 (1997)

    Article  Google Scholar 

  5. Su, Y., Zhou, A., Xia, X., Li, W., Sun, Z.: Quantitative Prediction of Protein-Protein Binding Affinity with a Potential of Mean Force Considering Volume Correction. Protein Sci. 18, 2550–2558 (2009)

    Article  Google Scholar 

  6. Oda, A., Tsuchida, K., Takakura, T., Yamaotsu, N., Hirono, S.: Comparison of Consensus Scoring Strategies for Evaluating Computational Models of Protein-ligand Complexes. Journal of Chemical Information and Modeling 46, 380–391 (2006)

    Article  Google Scholar 

  7. Kastritis, P.L., Bonvin, A.M.J.J.: Are Scoring Functions in Protein-Protein Docking Ready To Predict Interactomes? Clues from a Novel Binding Affinity Benchmark. Journal of Proteome Research 9, 2216–2225 (2010)

    Article  Google Scholar 

  8. Sotriffer, C.A., Sanschagrin, P., Matter, H., Klebe, G.: SFCscore: Scoring Functions for Affinity Prediction of Protein-ligand Complexes. Proteins-Structure Function and Bioinformatics 73, 395–419 (2008)

    Article  Google Scholar 

  9. Xia, J.F., Zhao, X.M., Huang, D.S.: Predicting Protein-protein Interactions from Protein Sequences Using Meta Predictor. Amino Acids 39, 1595–1599 (2010)

    Article  Google Scholar 

  10. Li, X.-L., Hou, M.-L., Wang, S.-L.: A Residual Level Potential of Mean Force Based Approach to Predict Protein-Protein Interaction Affinity. In: Huang, D.-S., Zhao, Z., Bevilacqua, V., Figueroa, J.C. (eds.) ICIC 2010. LNCS, vol. 6215, pp. 680–686. Springer, Heidelberg (2010)

    Chapter  Google Scholar 

  11. Li, X.L., Wang, S.L., Hou, M.L.: Specificity of Transporter Associated with Antigen Processing Protein as Revealed by Feature Selection Method. Protein and Peptide Letters 17, 1129–1135 (2010)

    Article  Google Scholar 

  12. Li, X.-L., Wang, S.-L.: A Comparative Study on Feature Selection in Regression for Predicting the Affinity of TAP Binding Peptides. In: Huang, D.-S., Zhang, X., Reyes García, C.A., Zhang, L. (eds.) ICIC 2010. LNCS (LNAI), vol. 6216, pp. 69–75. Springer, Heidelberg (2010)

    Chapter  Google Scholar 

  13. Moal, L.H., Agius, R., Bates, P.A.: Protein-protein Binding Affinity Prediction on a Diverse Set of Structures. Bioinformatics 27(21), 3002–3009 (2011)

    Article  Google Scholar 

  14. Wang, R.X., Fang, X.L., Lu, Y.P., Yang, C.Y., Wang, S.M.: The PDBbind Database: Methodologies and Updates. Journal of Medicinal Chemistry 48, 4111–4119 (2005)

    Article  Google Scholar 

  15. Vapnik, V.N.: Statistical Learning Theory. Springer, New York (1998)

    MATH  Google Scholar 

  16. Wolpert, D.H.: Stacked Generalization. Neural Network 5, 241–259 (1992)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2012 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Li, XL., Zhu, M., Li, XL., Wang, HQ., Wang, S. (2012). Protein-Protein Interaction Affinity Prediction Based on Interface Descriptors and Machine Learning. In: Huang, DS., Ma, J., Jo, KH., Gromiha, M.M. (eds) Intelligent Computing Theories and Applications. ICIC 2012. Lecture Notes in Computer Science(), vol 7390. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31576-3_27

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-31576-3_27

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-31575-6

  • Online ISBN: 978-3-642-31576-3

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics