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Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques

Received: 9 June 2015     Accepted: 26 June 2015     Published: 7 July 2015
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Abstract

In this paper, I focus on describe, calculate and analyze of molecular dynamic (MD) simulations using wavelet transform (WT) techniques by analogy with its use in signal and image processing, so that I would like to talk about the theoretical background wavelet transform methods, including what properties they have, their common types, and how to operate them. Secondly, I would introduce the continuous wavelet transform, which is especially well-suited for time course data such as molecular dynamics simulations., the WT permits filtering out the high-frequency noise without completely omitting the high-frequency phenomena whose contribution is crucial in cases where the dynamics is localized in frequency and time. Medical applications could be studied in which biomedical related research requires lots of mathematical and engineering techniques to analyze data. The WT is observed to excel in reconstructing the original signal by a subset of the basis used in the analysis and in identifying the occurrence of rare phenomena by examining the wavelet energies at high-resolution levels.

Published in American Journal of Physics and Applications (Volume 3, Issue 4)
DOI 10.11648/j.ajpa.20150304.13
Page(s) 131-137
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2015. Published by Science Publishing Group

Keywords

Molecular Dynamics, Wavelet Techniques, Some Applications

References
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  • APA Style

    A. Abdel-Hafiez. (2015). Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques. American Journal of Physics and Applications, 3(4), 131-137. https://doi.org/10.11648/j.ajpa.20150304.13

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    ACS Style

    A. Abdel-Hafiez. Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques. Am. J. Phys. Appl. 2015, 3(4), 131-137. doi: 10.11648/j.ajpa.20150304.13

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    AMA Style

    A. Abdel-Hafiez. Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques. Am J Phys Appl. 2015;3(4):131-137. doi: 10.11648/j.ajpa.20150304.13

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  • @article{10.11648/j.ajpa.20150304.13,
      author = {A. Abdel-Hafiez},
      title = {Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques},
      journal = {American Journal of Physics and Applications},
      volume = {3},
      number = {4},
      pages = {131-137},
      doi = {10.11648/j.ajpa.20150304.13},
      url = {https://doi.org/10.11648/j.ajpa.20150304.13},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpa.20150304.13},
      abstract = {In this paper, I focus on describe, calculate and analyze of molecular dynamic (MD) simulations using wavelet transform (WT) techniques by analogy with its use in signal and image processing, so that I would like to talk about the theoretical background wavelet transform methods, including what properties they have, their common types, and how to operate them. Secondly, I would introduce the continuous wavelet transform, which is especially well-suited for time course data such as molecular dynamics simulations., the WT permits filtering out the high-frequency noise without completely omitting the high-frequency phenomena whose contribution is crucial in cases where the dynamics is localized in frequency and time. Medical applications could be studied in which biomedical related research requires lots of mathematical and engineering techniques to analyze data. The WT is observed to excel in reconstructing the original signal by a subset of the basis used in the analysis and in identifying the occurrence of rare phenomena by examining the wavelet energies at high-resolution levels.},
     year = {2015}
    }
    

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    T1  - Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques
    AU  - A. Abdel-Hafiez
    Y1  - 2015/07/07
    PY  - 2015
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    T2  - American Journal of Physics and Applications
    JF  - American Journal of Physics and Applications
    JO  - American Journal of Physics and Applications
    SP  - 131
    EP  - 137
    PB  - Science Publishing Group
    SN  - 2330-4308
    UR  - https://doi.org/10.11648/j.ajpa.20150304.13
    AB  - In this paper, I focus on describe, calculate and analyze of molecular dynamic (MD) simulations using wavelet transform (WT) techniques by analogy with its use in signal and image processing, so that I would like to talk about the theoretical background wavelet transform methods, including what properties they have, their common types, and how to operate them. Secondly, I would introduce the continuous wavelet transform, which is especially well-suited for time course data such as molecular dynamics simulations., the WT permits filtering out the high-frequency noise without completely omitting the high-frequency phenomena whose contribution is crucial in cases where the dynamics is localized in frequency and time. Medical applications could be studied in which biomedical related research requires lots of mathematical and engineering techniques to analyze data. The WT is observed to excel in reconstructing the original signal by a subset of the basis used in the analysis and in identifying the occurrence of rare phenomena by examining the wavelet energies at high-resolution levels.
    VL  - 3
    IS  - 4
    ER  - 

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Author Information
  • Experimental nuclear physics Department, Nuclear research center, AEA, Cairo, Egypt

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