Spectroscopy and Spectral Analysis, Volume. 42, Issue 9, 2757(2022)

Theoretical Study on Raman Characteristic Peaks of Coronavirus Spike Protein Based on Deep Learning

Shuang NI... Jia-xing WEN, Min-jie ZHOU, Jing-lin HUANG, Wei LE, Guo CHEN, Zhi-bing HE, Bo LI, Song-nan ZHAO, Zong-qing ZHAO and Kai DU*; |Show fewer author(s)
Author Affiliations
  • Laser Fusion Research Center, China Academy of Engineering Physics, Mianyang 621900, China
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    Figures & Tables(9)
    (a) Structure of spike proteins of seven coronaviruses (The protein structure diagram is taken from https://www.rcsb.org/); (b), (c) Vibration mode diagram of amide Ⅰ and Ⅲ peaks in N-methylacetamide (b is amide Ⅰ vibration mode; c is amide Ⅲ vibration mode)
    The descriptors of NMA molecular used to predict Raman shifts and intensities
    Root mean square deviation of NMA molecular structures
    Pearson correlation coefficient between NMA molecular descriptors
    The Raman shift (a) and intensity (b) of amide I peak and the Raman shift (c) and intensity (d) of amide Ⅲ peak were compared by deep learning model and DFT calculation
    Statistical distribution of bond length of seven coronaviruses spike protein backbone
    Statistical distribution of bond angle anddihedral angle of seven coronaviruses spike protein backbone
    Comparison of Raman characteristic peaks of amide Ⅰ and Ⅲ of seven coronavirus spike proteins(a): Amide Ⅰ; (b): Amide Ⅲ
    Seven coronaviruses were distinguished by the frequency of amide Ⅰ and Ⅲ characteristic peaks
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    Shuang NI, Jia-xing WEN, Min-jie ZHOU, Jing-lin HUANG, Wei LE, Guo CHEN, Zhi-bing HE, Bo LI, Song-nan ZHAO, Zong-qing ZHAO, Kai DU. Theoretical Study on Raman Characteristic Peaks of Coronavirus Spike Protein Based on Deep Learning[J]. Spectroscopy and Spectral Analysis, 2022, 42(9): 2757

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    Paper Information

    Category: Research Articles

    Received: Mar. 5, 2021

    Accepted: May. 26, 2021

    Published Online: Nov. 17, 2022

    The Author Email:

    DOI:10.3964/j.issn.1000-0593(2022)09-2757-06

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