{
  "id": "0804.3576",
  "version": "v1",
  "published": "2008-04-22T17:45:26.000Z",
  "updated": "2008-04-22T17:45:26.000Z",
  "title": "Geometry of the energy landscape and folding transition in a simple model of a protein",
  "authors": [
    "Lorenzo N. Mazzoni",
    "Lapo Casetti"
  ],
  "comment": "to appear in Physical Review E",
  "doi": "10.1103/PhysRevE.77.051917",
  "categories": [
    "cond-mat.stat-mech",
    "cond-mat.soft",
    "q-bio.BM"
  ],
  "abstract": "A geometric analysis of the global properties of the energy landscape of a minimalistic model of a polypeptide is presented, which is based on the relation between dynamical trajectories and geodesics of a suitable manifold, whose metric is completely determined by the potential energy. We consider different sequences, some with a definite protein-like behavior, a unique native state and a folding transition, and the others undergoing a hydrophobic collapse with no tendency to a unique native state. The global geometry of the energy landscape appears to contain relevant information on the behavior of the various sequences: in particular, the fluctuations of the curvature of the energy landscape, measured by means of numerical simulations, clearly mark the folding transition and allow to distinguish the protein-like sequences from the others.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2008-04-22T17:45:26.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "87.15.-v",
      "02.40.-k"
    ],
    "keywords": [
      "folding transition",
      "simple model",
      "unique native state",
      "contain relevant information",
      "energy landscape appears"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review E",
      "year": 2008,
      "month": "May",
      "volume": 77,
      "number": 5,
      "pages": "051917"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2008PhRvE..77e1917M"
    }
  }
}