dorsal/arxiv
View SchemaA central partition of molecular conformational space. II. Embedding 3D structures
| Authors | Jacques Gabarro-Arpa |
|---|---|
| Categories | |
| ArXiv ID | physics/0404052 |
| URL | https://arxiv.org/abs/physics/0404052 |
| DOI | 10.1109/IEMBS.2004.1403852 |
| Journal | Proceedings of the 26th Annual International Conference of the IEEE EMBS,San Francisco, pp. 3007-3010 (2004) |
Abstract
A combinatorial model of molecular conformational space that was previously developped (J. Gabarro-Arpa, Comp. Biol. and Chem. 27, (2003) 153-159), had the drawback that structures could not be properly embedded beacause it lacked explicit rotational symmetry. The problem can be circumvented by sorting the elementary 3D components of a molecular system into a finite set of classes that can be separately embedded. This also opens up the possibility of encoding the dynamical states into a graph structure.
{
"annotation_id": "3d9069ca-e977-4ed3-8a58-e4e70f637197",
"date_created": "2026-03-02T18:00:49.657000Z",
"date_modified": "2026-03-02T18:00:49.657000Z",
"file_hash": "bc926b394d69242b331c34310ab4dc20d12ea023bcd9a13bc40d94611c1d00d2",
"private": false,
"record": {
"abstract": "A combinatorial model of molecular conformational space that was previously\ndevelopped (J. Gabarro-Arpa, Comp. Biol. and Chem. 27, (2003) 153-159), had the\ndrawback that structures could not be properly embedded beacause it lacked\nexplicit rotational symmetry. The problem can be circumvented by sorting the\nelementary 3D components of a molecular system into a finite set of classes\nthat can be separately embedded. This also opens up the possibility of encoding\nthe dynamical states into a graph structure.",
"arxiv_id": "physics/0404052",
"authors": [
"Jacques Gabarro-Arpa"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"doi": "10.1109/IEMBS.2004.1403852",
"journal_ref": "Proceedings of the 26th Annual International Conference of the\n IEEE EMBS,San Francisco, pp. 3007-3010 (2004)",
"title": "A central partition of molecular conformational space. II. Embedding 3D structures",
"url": "https://arxiv.org/abs/physics/0404052"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "80b10b43-68ce-4e1e-b853-0a6629a41fc2",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}