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|Title:||Wang-landau simulations of adsorbed and confined lattice proteins|
Ying Wai Li
David P. Landau
The University of Georgia
Eidgenossische Forschungsanstalt fur Wald, Schnee Und Landschaft Eth-Bereichs
|Keywords:||Computer Science;Mathematics;Physics and Astronomy|
|Citation:||International Journal of Modern Physics C. Vol.23, No.8 (2012)|
|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.|
|Appears in Collections:||Scopus 2011-2015|
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