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Selective adsorption of lattice peptides on patterned surfaces
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Swetnam, Adam D. and Allen, Michael P.. (2012) Selective adsorption of lattice peptides on patterned surfaces. Physical Review E, Vol.85 (No.6). Article no. 062901. ISSN 1539-3755
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Official URL: http://dx.doi.org/10.1103/PhysRevE.85.062901
Abstract
To study the adsorption of individual peptides in implicit solvent, we propose a version of the Wang-Landau Monte Carlo algorithm that uses a single surface, with no need for a confining wall or grafting. Our “wall-free” method is both more efficient than the traditional ones and free of additional assumptions or approximations. We illustrate it by simulating an HP-model lattice peptide on planar surfaces with a variety of patterns of adsorption sites, discovering a temperature-induced switch of surface selection which is due to a balance of energetic and entropic effects.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Physics |
| Library of Congress Subject Headings (LCSH): | Peptides -- Absorption and adsorption |
| Journal or Publication Title: | Physical Review E |
| Publisher: | American Institute of Physics |
| ISSN: | 1539-3755 |
| Date: | June 2012 |
| Volume: | Vol.85 |
| Number: | No.6 |
| Page Range: | Article no. 062901 |
| Identification Number: | 10.1103/PhysRevE.85.062901 |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Access rights to Published version: | Restricted or Subscription Access |
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
| Grant number: | EP/I001514/1 (EPSRC) |
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| URI: | http://wrap.warwick.ac.uk/id/eprint/47752 |
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