Fulltext

Unraveling the Beautiful Complexity of Simple Lattice Model Polymers and Proteins Using Wang-Landau Sampling

Wüst, T. ; Li, Y. ; Landau, D.

In: Journal of Statistical Physics, 2011, vol. 144, no. 3, p. 638-651

Ajouter à la liste personnelle
    Titre
    • Unraveling the Beautiful Complexity of Simple Lattice Model Polymers and Proteins Using Wang-Landau Sampling
    Auteur
    • Wüst, T.. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA
    • Li, Y.. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA
    • Landau, D.. Center for Simulational Physics, The University of Georgia, 30602, Athens, GA, USA
    Type de document
    • Postprint
    Langue
    • Anglais
    Publié dans
    • Journal of Statistical Physics, 2011, vol. 144, no. 3, p. 638-651. Springer US; http://www.springer-ny.com
    Autre version électronique
    Identifiant OAI-PMH
    • oai:doc.rero.ch:316444
    Summary
    We describe a class of "bare bones” models of homopolymers which undergo coil-globule collapse and proteins which fold into their native states in free space or into denatured states when captured by an attractive substrate as the temperature is lowered. We then show how, with the use of a properly chosen trial move set, Wang-Landau Monte Carlo sampling can be used to study the rough free energy landscape and ground (native) states of these intriguingly simple systems and thus elucidate their thermodynamic complexity