PROTEIN SECONDARY STRUCTURE PREDICTION USING KNOWLEDGE-BASED POTENTIALS
Saras Saraswathi, Robert L. Jernigan, Andrzej Kloczkowski, Andrzej Kolinski
2010
Abstract
A novel method is proposed for predicting protein secondary structure using data derived from knowledge based potentials and Neural Networks. Potential energies for amino acid sequences in proteins are calculated using protein structures. An Extreme Learning Machine classifier (ELM-PSO) is used to model and predict protein secondary structures. Classifier performance is maximized using the Particle Swarm Optimization algorithm. Preliminary results show improved results.
References
- Altschul, S., Madden, T., and Schaffer, A., 1997. Gapped BLAST and PSI-BLAST: a new generation of protein database search programs. Nucl Acids Res, 25, 3389 - 3402.
- Clerc, M. K. and Kennedy, J., 2002. The particle swarm - explosion, stability, and convergence in a multidimensional complex space. IEEE Trans olutionary Comput, 6 (1) 58-73.
- Chou, P. Y. and Fasman, G. D., 1974. Prediction of protein conformation. Biochemistry, 13(2), 222-245.
- Cole, C., Barber, J. D., and Barton , G. J., 2008. The Jpred 3 secondary structure prediction server. Nucleic Acids Research, 36 (Web Server issue): W197-W201.
- Cuff, J. A. and Barton, G. J., 2000. Application of multiple sequence alignment profiles to improve protein secondary structure prediction. Proteins, 40(3), 502- 511.
- Dor, O. and Zhou, Y., 2007. Achieving 80% Ten-fold Cross-validated Accuracy for Secondary Structure Prediction by Large-scale Training. PROTEINS: Structure, Function, and Bioinformatics, 66, 838-845.
- Garnier, J., Osguthorpe, D. J. and Robson, B., 1978. Analysis of the accuracy and implications of simple methods for predicting the secondary structure of globular proteins. J Mol Biol, 1, 97-120.
- Garnier, J., Gibrat, J. F., and Robson, B., 1996. GOR secondary structure prediction method version IV. Methods Enzymol, 226, 540-553.
- Huang, G. B., Zhu, Q. Y., and Siew, C. K., 2006. Extreme learning machine: Theory and applications. Neurocomputing, 70(1-3), 489-501.
- Jones, D., 1999. Protein secondary structure prediction based on position-specific scoring matrices. J Mol Biol, 292, 195 - 202.
- Kabsch, W. and Sander, C., 1983. Dictionary of protein secondary structure: pattern recognition of hydrogenbonded and geometrical features. Biopolymers, 22(12), 2577-2637.
- Kihara, D., 2005. The effect of long-range interactions on the secondary structure formation of proteins. Prot Sci., 14( 8), 1955-1963.
- Kim, H. and Park, H., 2003. Protein Secondary Structure Prediction Based on an Improved Support Vector Machines Approach. Protein Eng, 16, 553-560.
- Kloczkowski, A., Ting, K. L., Jernigan, R. L., and Garnier, J., 2002. Combining the GOR V algorithm with evolutionary information for protein secondary structure prediction from amino acid sequence. Proteins, 49, 154-166.
- Kolinski A., 2004. Protein modeling and structure prediction with a reduced representation. Acta Biochim Pol, 51, 349-371.
- Lomize, A. L., Pogozheva, I. D. and Mosberg, H. I., 1999. Prediction of protein structure : The problem of fold multiplicity. Proteins, 37, 199-203.
- Montgomerie, S., Sundaraj, S., Gallin W., and Wishart, D., 2006. Improving the Accuracy of Protein Secondary Structure Prediction Using Structural Alignment. BMC Bioinformatics, 7, 301.
- Ortiz, A. R., Kolinski, A., Rotkiewicz, P., Ilkowski, B. and Skolnick, J., 1999. Ab initio folding of proteins using restraints derived from evolutionary information. Proteins Suppl 3 (CASP3 Proceedings), 177-185.
- Pollastri, G., Martin, A., Mooney, C. and Vullo, A., 2007. Accurate prediction of protein secondary structure and solvent accessibility by consensus combiners of sequence and structure information. BMC Bioinformatics, 8(1), 201.
- Qian, N. and Sejnowski, T. J., 1988. Predicting the secondary structure of globular proteins using neural network models. J Mol Biol, 202, 865-884.
- Rost, B. and Sander, C., 1993. Prediction of protein secondary structure at better than 70% accuracy. J. Mol. Biol., 232, 584-599.
- Rost, B., 2001. Review: Protein Secondary Structure Prediction Continues to Rise. J Struct Bio, 134, (2-3), 204-218.
- Rost, B., Yachdav, G. and Liu, J., 2004. The PredictProtein Server, Nucl Acids Res, 32, Web Server issue, W321- W326.
- Saraswathi, S., Suresh, S., Sundararajan, N., Zimmerman, M. and Nilsen-Hamilton, M., 2010. ICGA-PSO-ELM approach for Accurate Cancer Classification Resulting in Reduced Gene Sets Involved in Cellular Interface with the Microenvironment. IEEE Transactions in Bioinformatics and Computational Biology, http://www.computer.org/portal/web/csdl/doi/10.1109/ TCBB.2010.13.
- Ward, J. J., McGuffin, L. J., Buxton, B. F. and Jones, D. T., 2003. Secondary structure prediction with support vector machines. Bioinformatics, 19(13), 1650-1655.
- Witten, I. H. and Frank, E., 2005. Data Mining: Practical machine learning tools and techniques, (2nd ed.) San Francisco: Morgan Kaufmann.
Paper Citation
in Harvard Style
Saraswathi S., Jernigan R., Kloczkowski A. and Kolinski A. (2010). PROTEIN SECONDARY STRUCTURE PREDICTION USING KNOWLEDGE-BASED POTENTIALS . In Proceedings of the International Conference on Fuzzy Computation and 2nd International Conference on Neural Computation - Volume 1: ICNC, (IJCCI 2010) ISBN 978-989-8425-32-4, pages 370-375. DOI: 10.5220/0003086903700375
in Bibtex Style
@conference{icnc10,
author={Saras Saraswathi and Robert L. Jernigan and Andrzej Kloczkowski and Andrzej Kolinski},
title={PROTEIN SECONDARY STRUCTURE PREDICTION USING KNOWLEDGE-BASED POTENTIALS},
booktitle={Proceedings of the International Conference on Fuzzy Computation and 2nd International Conference on Neural Computation - Volume 1: ICNC, (IJCCI 2010)},
year={2010},
pages={370-375},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003086903700375},
isbn={978-989-8425-32-4},
}
in EndNote Style
TY - CONF
JO - Proceedings of the International Conference on Fuzzy Computation and 2nd International Conference on Neural Computation - Volume 1: ICNC, (IJCCI 2010)
TI - PROTEIN SECONDARY STRUCTURE PREDICTION USING KNOWLEDGE-BASED POTENTIALS
SN - 978-989-8425-32-4
AU - Saraswathi S.
AU - Jernigan R.
AU - Kloczkowski A.
AU - Kolinski A.
PY - 2010
SP - 370
EP - 375
DO - 10.5220/0003086903700375