Publication: Wang-landau simulations of adsorbed and confined lattice proteins
Issued Date
2012-08-01
Resource Type
ISSN
01291831
Other identifier(s)
2-s2.0-84865459773
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Mahidol University
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SCOPUS
Bibliographic Citation
International Journal of Modern Physics C. Vol.23, No.8 (2012)
Suggested Citation
Busara Pattanasiri, Ying Wai Li, David P. Landau, Thomas WÜst Wang-landau simulations of adsorbed and confined lattice proteins. International Journal of Modern Physics C. Vol.23, No.8 (2012). doi:10.1142/S0129183112400086 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/14043
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Title
Wang-landau simulations of adsorbed and confined lattice proteins
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 WangLandau (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. © 2012 World Scientific Publishing Company.