Geodesic
The modelling of secondary structure of polimer chain
Matematičeskoe modelirovanie, Tome 15 (2003) no. 11, pp. 110-120 
Yu. A. Kriksin; P. G. Khalatur; A. R. Khokhlov. The modelling of secondary structure of polimer chain. Matematičeskoe modelirovanie, Tome 15 (2003) no. 11, pp. 110-120. http://geodesic.mathdoc.fr/item/MM_2003_15_11_a8/
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     author = {Yu. A. Kriksin and P. G. Khalatur and A. R. Khokhlov},
     title = {The modelling of secondary structure of polimer chain},
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     pages = {110--120},
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     volume = {15},
     number = {11},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2003_15_11_a8/}
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Voir la notice de l'article provenant de la source Math-Net.Ru

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.

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