Analysis of Molecular Dynamic Simulations Using Wavelet-Based Techniques

摘要

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 highresolution levels.