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Wang–Landau Simulations Of Adsorbed And Confined Lattice Proteins

Author

Listed:
  • BUSARA PATTANASIRI

    (Center for Simulational Physics, Department of Physics and Astronomy, University of Georgia, Athens, GA 30602, USA;
    R&D Group of Biological and Environmental Physics, Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand;
    Department of Chemistry, Faculty of Science, Mahidol University, Bangkok 10400, Thailand)

  • YING WAI LI

    (Center for Simulational Physics, Department of Physics and Astronomy, University of Georgia, Athens, GA 30602, USA)

  • DAVID P. LANDAU

    (Center for Simulational Physics, Department of Physics and Astronomy, University of Georgia, Athens, GA 30602, USA)

  • THOMAS WÜST

    (Swiss Federal Research Institute WSL, Zürcherstrasse 111, CH-8903 Birmensdorf, Switzerland)

Abstract

The hydrophobic-polar (HP) model has emerged as one of the standard approaches for simulating protein folding. In this work, we used this model together with Wang–Landau (WL) sampling and appropriate Monte Carlo trial moves to determine the density of states and thermodynamics for two cases: Protein adsorption and protein confinement, in the vicinity of attractive surfaces. The influence on the adsorption behavior of surface attractive strength in the adsorption case and volumetric spaces in the confinement case will be discussed.

Suggested Citation

  • Busara Pattanasiri & Ying Wai Li & David P. Landau & Thomas Wüst, 2012. "Wang–Landau Simulations Of Adsorbed And Confined Lattice Proteins," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 23(08), pages 1-10.
    • Handle: RePEc:wsi:ijmpcx:v:23:y:2012:i:08:n:s0129183112400086
    DOI: 10.1142/S0129183112400086
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