Publication: Conformational transitions of a confined lattice protein: A Wang-Landau study
Issued Date
2012-01-01
Resource Type
ISSN
17426596
17426588
17426588
Other identifier(s)
2-s2.0-84872575522
Rights
Mahidol University
Rights Holder(s)
SCOPUS
Bibliographic Citation
Journal of Physics: Conference Series. Vol.402, No.1 (2012)
Suggested Citation
Busara Pattanasiri, Ying Wai Li, David P. Landau, Thomas Wüst, Wannapong Triampo Conformational transitions of a confined lattice protein: A Wang-Landau study. Journal of Physics: Conference Series. Vol.402, No.1 (2012). doi:10.1088/1742-6596/402/1/012048 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/15195
Research Projects
Organizational Units
Authors
Journal Issue
Thesis
Title
Conformational transitions of a confined lattice protein: A Wang-Landau study
Abstract
We use Wang-Landau sampling with suitable Monte Carlo trial moves to study a hydrophobic-polar (HP) lattice protein confined between two parallel, attractive walls. The density of states is determined iteratively by a random walk in energy space. Thermodynamic and structural properties, such as specific heat, number of surface contacts and number of H-H monomer pairs, are then calculated. When the surface attraction is comparable to the internal attraction among the hydrophobic monomers in the chain, two conformational "transitions", adsorption at higher temperature and collapse at lower temperature, have been analyzed based on these properties. This transition behavior depends on the variation of surface separation. © Published under licence by IOP Publishing Ltd.