[Studies on the coil-globule transition by the Monte-Carlo method].

T M Birshteĭn; V N Gridnev; A M Skvortsov

PubMed · 7242536

[Studies on the coil-globule transition by the Monte-Carlo method].

Abstract

The results of a dynamical Monte-Carlo study on the coil-globule and globule-coil transitions are presented. Self-avoiding chains of lengths N = 32 and 64 are investigated. The kinetic model included two- and three-bonds flips. The relaxation of the chain was induced by the abrupt change of the interaction between the monomers. The time evolution of the radius of gyration and the number of intramolecular contacts was obtained. It is established that the transition to the compact state occurs due to the contacts between the monomers close to each other along the chain. The results obtained are compared with the predictions of analytical theories.

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Biopolymers Macromolecular Substances Models, Biological Molecular Conformation Monte Carlo Method English Abstract Journal Article

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T M Birshteĭn, V N Gridnev, A M Skvortsov. [Studies on the coil-globule transition by the Monte-Carlo method].. https://pubmed.ncbi.nlm.nih.gov/7242536/

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