Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques

A. Abdel-Hafiez

doi:doi:10.11648/j.ajpa.20150304.13

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Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques

A. Abdel-Hafiez

Published in American Journal of Physics and Applications (Volume 3, Issue 4)

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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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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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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TY  - JOUR
T1  - Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques
AU  - A. Abdel-Hafiez
Y1  - 2015/07/07
PY  - 2015
N1  - https://doi.org/10.11648/j.ajpa.20150304.13
DO  - 10.11648/j.ajpa.20150304.13
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

A. Abdel-Hafiez

Experimental nuclear physics Department, Nuclear research center, AEA, Cairo, Egypt

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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

Copy | Download

@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}
}

Copy | Download

TY  - JOUR
T1  - Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques
AU  - A. Abdel-Hafiez
Y1  - 2015/07/07
PY  - 2015
N1  - https://doi.org/10.11648/j.ajpa.20150304.13
DO  - 10.11648/j.ajpa.20150304.13
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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