title: Wang-Landau simulation of Gō model molecules.
abstract: Gō-like models are one of the oldest protein modeling concepts in computational physics and have proven their value over and over for forty years. The essence of a Gō model is to define a native contact matrix for a well-defined low-energy polymer configuration, e.g., the native state in the case of proteins or peptides. Many different potential shapes and many different cut-off distances in the definition of this native contact matrix have been proposed and applied. We investigate here the physical consequences of the choice for this cut-off distance in the Gō models derived for a square-well tangent sphere homopolymer chain. For this purpose we are performing flat-histogram Monte Carlo simulations of Wang-Landau type, obtaining the thermodynamic and structural properties of such models over the complete temperature range. Differences and similarities with Gō models for proteins and peptides are discussed.
authors.affiliation: Institut für Physik, Martin-Luther-Universität, D-06099, Halle (Saale), Germany.
authors.forename: Arne
authors.initials: A
authors.lastname: Böker
authors.affiliation: Institut für Physik, Martin-Luther-Universität, D-06099, Halle (Saale), Germany. wolfgang.paul@physik.uni-halle.de.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Paul
mesh_terms: D056004:Molecular Dynamics Simulation; D010455:Peptides / Q000737:chemistry*; D011489:Protein Denaturation; D013696:Temperature; D013816:Thermodynamics
chemical_list: D010455:Peptides
keywords: Soft Matter: Polymers and Polyelectrolytes
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