dorsal/arxiv
View SchemaEfficient Monte Carlo Methods for Cyclic Peptides
| Authors | Minghong G. Wu, Michael W. Deem |
|---|---|
| Categories | |
| ArXiv ID | physics/9810029 |
| URL | https://arxiv.org/abs/physics/9810029 |
| DOI | 10.1080/002689799163659 |
Abstract
We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo. Parallel tempering is shown to be an important ingredient in the construction of an efficient approach.
{
"annotation_id": "1feda5fb-6bf3-4a0f-b05c-c95272da0439",
"date_created": "2026-03-02T18:01:21.778000Z",
"date_modified": "2026-03-02T18:01:21.778000Z",
"file_hash": "8e93fa03f7a5ab40300df12770daa0a9e35dd81644a3dc3ab99dddc6daed7095",
"private": false,
"record": {
"abstract": "We present a new, biased Monte Carlo scheme for simulating complex, cyclic\npeptides. Backbone atoms are equilibrated with a biased rebridging scheme, and\nside-chain atoms are equilibrated with a look-ahead configurational bias Monte\nCarlo. Parallel tempering is shown to be an important ingredient in the\nconstruction of an efficient approach.",
"arxiv_id": "physics/9810029",
"authors": [
"Minghong G. Wu",
"Michael W. Deem"
],
"categories": [
"physics.bio-ph",
"cond-mat.stat-mech",
"physics.comp-ph"
],
"doi": "10.1080/002689799163659",
"title": "Efficient Monte Carlo Methods for Cyclic Peptides",
"url": "https://arxiv.org/abs/physics/9810029"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "1831c3f6-f5d6-4d54-8a75-b2f60d443be1",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}