DIFFERENTIAL EVOLUTION TO MULTI-OBJECTIVE PROTEIN STRUCTURE PREDICTION

Sandra M. Venske, Richard A. Gonçalves, Myriam R. Delgado

Abstract

Protein structure prediction (PSP) is one of the most challenging problems nowadays and an important Bioinformatics research topic. In this paper we propose an optimization method based on differential evolution for PSP problem. We model PSP as an optimization problem in order to minimize the potential energy using ab initio approach. This problem is handled here as multi-objective optimization, and it is solved by the evolutionary method of Differential Evolution (DE). An innovative way of choosing the best individual of the population is proposed in this work: the minimum distance to the empirical ideal point. The idea is to guide the population individuals to areas of the Pareto front that correspond to a good compromise of the bonded and non-bonded energies. The proposed approach is validated on some peptides with promising results.

References

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Paper Citation


in Harvard Style

M. Venske S., A. Gonçalves R. and R. Delgado M. (2012). DIFFERENTIAL EVOLUTION TO MULTI-OBJECTIVE PROTEIN STRUCTURE PREDICTION . In Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012) ISBN 978-989-8425-90-4, pages 295-298. DOI: 10.5220/0003767002950298


in Bibtex Style

@conference{bioinformatics12,
author={Sandra M. Venske and Richard A. Gonçalves and Myriam R. Delgado},
title={DIFFERENTIAL EVOLUTION TO MULTI-OBJECTIVE PROTEIN STRUCTURE PREDICTION},
booktitle={Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012)},
year={2012},
pages={295-298},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003767002950298},
isbn={978-989-8425-90-4},
}


in EndNote Style

TY - CONF
JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - Volume 1: BIOINFORMATICS, (BIOSTEC 2012)
TI - DIFFERENTIAL EVOLUTION TO MULTI-OBJECTIVE PROTEIN STRUCTURE PREDICTION
SN - 978-989-8425-90-4
AU - M. Venske S.
AU - A. Gonçalves R.
AU - R. Delgado M.
PY - 2012
SP - 295
EP - 298
DO - 10.5220/0003767002950298