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International Conference on Computational Science and Its Applications

ICCSA 2016: Computational Science and Its Applications -- ICCSA 2016 pp 1–10Cite as

Protein Ligand Docking Using Simulated Jumping

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 9788))

Abstract

Molecular docking is an essential topic of study as it is crucial in numerous biological processes such as signal transduction and gene expression. Computational efforts to predict ligand docking is preferable to costly x-ray crystallography and Nuclear Magnetic Resonance (NMR) yet technology today remains incompetent in exploring vast search spaces for optimal solutions. To create efficient and effective algorithms, research has led to De novo drug design: a technique to extract novel chemical structures from protein banks is largely evolutionary in nature, and has found measurable success in optimal solution searching. A study by Shara Amin in 1999 in her novel method: simulated jumping (SJ) has achieved promising results when tested on combinatorial optimization problems such as the Quadratic Assignment and Asymmetric Travelling Salesman problems. Following her success with SJ, we aim to incorporate SJ into protein ligand docking, another optimization problem.

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Acknowledgement

This work is carried out within the framework of a research grant funded by Ministry of Higher Education (MOHE) Fundamental Research Grant Scheme (Project Code: FRGS/1/2014/ICT1/TAYLOR/03/1).

Author information

Authors and Affiliations

  1. School of Biosciences, Taylor’s University, Subang Jaya, Malaysia

    Sally Chen Woon Peh

  2. School of Computing and IT, Taylor’s University, Subang Jaya, Malaysia

    Jer Lang Hong

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  1. Sally Chen Woon Peh
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Corresponding author

Correspondence to Sally Chen Woon Peh .

Editor information

Editors and Affiliations

  1. University of Perugia, Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata, Potenza, Italy

    Beniamino Murgante

  3. Covenant University, Ota, Nigeria

    Sanjay Misra

  4. University of Minho, Braga, Portugal

    Ana Maria A.C. Rocha

  5. Polytechnic University, Bari, Italy

    Carmelo M. Torre

  6. Monash University, Clayton, Victoria, Australia

    David Taniar

  7. Kyushu Sangyo University, Fukuoka, Japan

    Bernady O. Apduhan

  8. Saint Petersburg State University, Saint Petersburg, Russia

    Elena Stankova

  9. Beijing University of Posts and Telecommunications, Beijing, China

    Shangguang Wang

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© 2016 Springer International Publishing Switzerland

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Peh, S.C.W., Hong, J.L. (2016). Protein Ligand Docking Using Simulated Jumping. In: Gervasi, O., et al. Computational Science and Its Applications -- ICCSA 2016. ICCSA 2016. Lecture Notes in Computer Science(), vol 9788. Springer, Cham. https://doi.org/10.1007/978-3-319-42111-7_1

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  • DOI: https://doi.org/10.1007/978-3-319-42111-7_1

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-42110-0

  • Online ISBN: 978-3-319-42111-7

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