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

ABSTRACT: 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

SUBMITTER: Huang E 

PROVIDER: S-EPMC10537616 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature