Nonequilibrium Dynamics of the Helix-Coil Transition in Polyalanine
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | , , , , |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
| _version_ | 1866911114611130368 |
|---|---|
| author | Conradi, Maximilian Christiansen, Henrik Majumder, Suman Müller, Fabio Janke, Wolfhard |
| author_facet | Conradi, Maximilian Christiansen, Henrik Majumder, Suman Müller, Fabio Janke, Wolfhard |
| contents | In this work, the nonequilibrium pathways of the collapse of the helix-forming biopolymer polyalanine are investigated. To this end, the full time evolution of the helix-coil transition is simulated using molecular dynamics simulations. At the start of the transition short $3_{10}$-helices form, seemingly leading to the molecule becoming more aspherical midway through the collapse. After the completed collapse, the formation of $α$-helices seems to become the prevalent ordering mechanism leading to helical bundles, a structure representative for the equilibrium behavior of longer chains. The dynamics of this transition is explored in terms of the power-law scaling of two associated relaxation times as a function of the chain length. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_15547 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Nonequilibrium Dynamics of the Helix-Coil Transition in Polyalanine Conradi, Maximilian Christiansen, Henrik Majumder, Suman Müller, Fabio Janke, Wolfhard Soft Condensed Matter Chemical Physics In this work, the nonequilibrium pathways of the collapse of the helix-forming biopolymer polyalanine are investigated. To this end, the full time evolution of the helix-coil transition is simulated using molecular dynamics simulations. At the start of the transition short $3_{10}$-helices form, seemingly leading to the molecule becoming more aspherical midway through the collapse. After the completed collapse, the formation of $α$-helices seems to become the prevalent ordering mechanism leading to helical bundles, a structure representative for the equilibrium behavior of longer chains. The dynamics of this transition is explored in terms of the power-law scaling of two associated relaxation times as a function of the chain length. |
| title | Nonequilibrium Dynamics of the Helix-Coil Transition in Polyalanine |
| topic | Soft Condensed Matter Chemical Physics |
| url | https://arxiv.org/abs/2508.15547 |