Coil-helix-globule transition for self-attractive semiflexible ring chains

Yang, Zhiyong; Deng, Zheyu; Zhang, Linxi

doi:10.1016/j.polymer.2016.12.075

Cited by 1 publication

(3 citation statements)

References 48 publications

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“…Similar coil-helix-globule transitions have also been observed in polymer systems with an increase in self-attractive interactions [31,32] like self-attractive semiflexible ring chains [32]. Specifically, the semiflexible ring polymer chain consists of N effective monomers, where neighboring monomers are connected by the finitely extendable nonlinear elastic potential [32]. The interactions between nonbonded monomers are described by the standard Lennard-Jones potential.…”

Section: Comparison With Other Modelsmentioning

confidence: 59%

“…In addition, the stiffness of semiflexible polymers is modeled by angle-dependent bending potential between adjacent bonds. An off-lattice Monte Carlo simulation is used to investigate the conformations of the self-attractive semiflexible ring polymer [ 32 ]. Depending on the bending energy and the self-attractive interaction between monomers, the system can show a coil–helix–globule transition.…”

Section: Resultsmentioning

confidence: 99%

“…Depending on the bending energy and the self-attractive interaction between monomers, the system can show a coil–helix–globule transition. It is also revealed that the transition is attributed to the competition of the configurational entropy, the bending energy, and the self-attractive interaction [ 32 ].…”

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Modeling Coil–Globule–Helix Transition in Polymers by Self-Interacting Random Walks

Huang,

Tan

2023

Polymers

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Random walks (RWs) have been important in statistical physics and can describe the statistical properties of various processes in physical, chemical, and biological systems. In this study, we have proposed a self-interacting random walk model in a continuous three-dimensional space, where the walker and its previous visits interact according to a realistic Lennard-Jones (LJ) potential uLJr=εr0/r12−2r0/r6. It is revealed that the model shows a novel globule-to-helix transition in addition to the well-known coil-to-globule collapse in its trajectory when the temperature decreases. The dependence of the structural transitions on the equilibrium distance r0 of the LJ potential and the temperature T were extensively investigated. The system showed many different structural properties, including globule–coil, helix–globule–coil, and line–coil transitions depending on the equilibrium distance r0 when the temperature T increases from low to high. We also obtained a correlation form of kBTc = λε for the relationship between the transition temperature Tc and the well depth ε, which is consistent with our numerical simulations. The implications of the random walk model on protein folding are also discussed. The present model provides a new way towards understanding the mechanism of helix formation in polymers like proteins.

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