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<article article-type="research-article" dtd-version="1.3" xml:lang="ru">
  <front xmlns:xlink="http://www.w3.org/1999/xlink">
    <journal-meta>
      <journal-title-group>
        <journal-title>St. Petersburg Polytechnic University Journal: Physics and Mathematics</journal-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Научно-технические ведомости СПбГПУ. Физико-математические науки</trans-title>
        </trans-title-group>
      </journal-title-group>
      <issn pub-type="epub">2304-9782, 2618-8686, 2405-7223</issn>
    </journal-meta>
    <article-meta xmlns:xlink="http://www.w3.org/1999/xlink">
      <article-id pub-id-type="publisher-id">6</article-id>
      <article-id pub-id-type="doi">10.18721/JPM.16306</article-id>
      <title-group>
        <article-title>Supercomputer dynamical models of glycine, tryptophan and diphenyl-L-alanine in the electrical fields of terahertz and infrared spectral ranges</article-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Суперкомпьютерные динамические модели глицина, триптофана и дифенилаланина в электрических полях терагерцового и инфракрасного спектральных диапазонов</trans-title>
        </trans-title-group>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <name>
            <surname>Baranov</surname>
            <given-names>Maksim</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>baranovma1993@gmail.com</email>
        </contrib>
        <contrib contrib-type="author">
          <name>
            <surname>Karseeva</surname>
            <given-names>Elina</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>elina.nep@gmail.com</email>
        </contrib>
        <contrib contrib-type="author">
          <name>
            <surname>Tsybin</surname>
            <given-names>Oleg</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>otsybin@rphf.spbstu.ru</email>
        </contrib>
      </contrib-group>
      <aff id="aff1">Peter the Great St. Petersburg Polytechnic University</aff>
      <pub-date publication-format="electronic" date-type="pub" iso-8601-date="2023-09-30">
        <day>30</day>
        <month>09</month>
        <year>2023</year>
      </pub-date>
      <volume>16</volume>
      <issue>3</issue>
      <fpage>59</fpage>
      <lpage>72</lpage>
      <self-uri xmlns:xlink="http://www.w3.org/1999/xlink" content-type="pdf" xlink:href="https://physmath.spbstu.ru/userfiles/files/articles/2023/3/06_59-72_16(3)2023.pdf"/>
      <abstract xml:lang="en">
        <p>In the paper, a method for analyzing molecular oscillations of the glycine, tryptophan and difenilalanine amino acids in the electric fields of the THz/IR frequency ranges has been implemented with Fourier-frequency spectrum calculation of the integral dipole moment amplitude-time realizations obtained by supercomputer modeling. The achieved results inhibited new possibilities of applying this method, supplemented the understanding of the dynamic properties of biomolecules. The method and the data obtained can be recommended in the development of nanobiotechnologies, bioelectronics, and hetero hybrid microelectronic devices with embedded biomolecular components.</p>
      </abstract>
      <kwd-group xml:lang="en">
        <kwd>molecular dynamics</kwd>
        <kwd>simulation</kwd>
        <kwd>amino acid</kwd>
        <kwd>biomolecular electronics</kwd>
        <kwd>glycine</kwd>
        <kwd>tryptophan</kwd>
        <kwd>diphenylalanine</kwd>
      </kwd-group>
    </article-meta>
  </front>
</article>
