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Matematicheskoe modelirovanie, 2003, Volume 15, Number 11, Pages 110–120 (Mi mm379)  

The modelling of secondary structure of polimer chain

Yu. A. Kriksina, P. G. Khalaturb, A. R. Khokhlovc

a Institute for Mathematical Modelling, Russian Academy of Sciences
b Tver State University, Chemical and Biological Department
c M. V. Lomonosov Moscow State University, Faculty of Physics
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Abstract: We present Langevin dynamics model of homopolymer which is able to form secondary structure of prescribed hirality. Special kind of intramolecular potential ensures this property. Attractive and excluded volume potentials are also used to study globular conformations with helix-like structure. In order to compare the conformations obtained with various values of parameters local and global measures of distinction are proposed. The dependencies of the radius of gyration and the measures of distinction on the parameters of intramolecular interactions are shown. These dependencies enable to study conformational properties of polymer chain. Radius of gyration and global measure of distinction are used to make the plane diagram classifying basic types of conformations appearing for various values of energy parameters.
Received: 28.04.2003
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Language: Russian
Citation: Yu. A. Kriksin, P. G. Khalatur, A. R. Khokhlov, “The modelling of secondary structure of polimer chain”, Matem. Mod., 15:11 (2003), 110–120
Citation in format AMSBIB
\Bibitem{KriKhaKho03}
\by Yu.~A.~Kriksin, P.~G.~Khalatur, A.~R.~Khokhlov
\paper The modelling of secondary structure of polimer chain
\jour Matem. Mod.
\yr 2003
\vol 15
\issue 11
\pages 110--120
\mathnet{http://mi.mathnet.ru/mm379}
\zmath{https://zbmath.org/?q=an:1046.82038}
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