Simple solvation potential for coarse-grained models of proteins
| dc.creator | Bhattacharyay, A. | |
| dc.creator | Trovato, A. | |
| dc.creator | Seno, F. | |
| dc.date | 2006-06-22 | |
| dc.date.accessioned | 2026-07-07T07:18:56Z | |
| dc.date.available | 2026-07-07T07:18:56Z | |
| dc.description | We formulate a simple solvation potential based on a coarsed-grain representation of amino acids with two spheres modeling the $C_α$ atom and an effective side-chain centroid. The potential relies on a new method for estimating the buried area of residues, based on counting the effective number of burying neighbours in a suitable way. This latter quantity shows a good correlation with the buried area of residues computed from all atom crystallographic structures. We check the discriminatory power of the solvation potential alone to identify the native fold of a protein from a set of decoys and show the potential to be considerably selective. | |
| dc.description | 18 pages, 8 tables, 3 figures | |
| dc.identifier | https://arxiv.org/abs/q-bio/0606031 | |
| dc.identifier | http://arxiv.org/abs/q-bio/0606031 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/114480 | |
| dc.subject | Biomolecules | |
| dc.title | Simple solvation potential for coarse-grained models of proteins | |
| dc.type | text |