dorsal/arxiv
View SchemaThermodynamics of alpha- and beta-structure formation in proteins
| Authors | Anders Irbäck, Björn Samuelsson, Fredrik Sjunnesson, Stefan Wallin |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0312045 |
| URL | https://arxiv.org/abs/q-bio/0312045 |
| DOI | 10.1016/S0006-3495(03)74579-2 |
| Journal | Biophys. J. 85 (2003) 1466-1473 |
Abstract
An atomic protein model with a minimalistic potential is developed and then tested on an alpha-helix and a beta-hairpin, using exactly the same parameters for both peptides. We find that melting curves for these sequences to a good approximation can be described by a simple two-state model, with parameters that are in reasonable quantitative agreement with experimental data. Despite the apparent two-state character of the melting curves, the energy distributions are found to lack a clear bimodal shape, which is discussed in some detail. We also perform a Monte Carlo-based kinetic study and find, in accord with experimental data, that the alpha-helix forms faster than the beta-hairpin.
{
"annotation_id": "f3bf46fe-1310-4935-a9fa-b5c2df9f1024",
"date_created": "2026-03-02T18:01:30.961000Z",
"date_modified": "2026-03-02T18:01:30.961000Z",
"file_hash": "2aab600ecd65595f1fe15f3354d59d790e1cbce6af2e00d121aff65229e0933f",
"private": false,
"record": {
"abstract": "An atomic protein model with a minimalistic potential is developed and then\ntested on an alpha-helix and a beta-hairpin, using exactly the same parameters\nfor both peptides. We find that melting curves for these sequences to a good\napproximation can be described by a simple two-state model, with parameters\nthat are in reasonable quantitative agreement with experimental data. Despite\nthe apparent two-state character of the melting curves, the energy\ndistributions are found to lack a clear bimodal shape, which is discussed in\nsome detail. We also perform a Monte Carlo-based kinetic study and find, in\naccord with experimental data, that the alpha-helix forms faster than the\nbeta-hairpin.",
"arxiv_id": "q-bio/0312045",
"authors": [
"Anders Irb\u00e4ck",
"Bj\u00f6rn Samuelsson",
"Fredrik Sjunnesson",
"Stefan Wallin"
],
"categories": [
"q-bio.BM",
"cond-mat.soft"
],
"doi": "10.1016/S0006-3495(03)74579-2",
"journal_ref": "Biophys. J. 85 (2003) 1466-1473",
"title": "Thermodynamics of alpha- and beta-structure formation in proteins",
"url": "https://arxiv.org/abs/q-bio/0312045"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "f951c4a9-5dbf-4bbb-8358-333680254619",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}