Name
Abstract | ||
|---|---|---|
Using Wang–Landau sampling with suitable Monte Carlo trial moves (pull moves and bond-rebridging moves combined) we have determined the density of states and thermodynamic properties for a short sequence of the HP protein model. For free chains these proteins are known to first undergo a collapse “transition” to a globule state followed by a second “transition” into a native state. When placed in the proximity of an attractive surface, there is a competition between surface adsorption and folding that leads to an intriguing sequence of “transitions”. These transitions depend upon the relative interaction strengths and are largely inaccessible to “standard” Monte Carlo methods. |
Year | DOI | Venue |
|---|---|---|
2011 | 10.1016/j.cpc.2010.12.049 | Computer Physics Communications |
Keywords | Field | DocType |
Protein folding,HP model,Wang–Landau sampling,Heteropolymers,Adsorption | Statistical physics,HP Protein,Protein folding,Density of states,Monte Carlo method,Ising model,Native state,Mathematics | Journal |
Volume | Issue | ISSN |
182 | 9 | 0010-4655 |
Citations | PageRank | References |
1 | 0.37 | 1 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Ying Wai Li | 1 | 2 | 1.46 |
| Thomas Wüst | 2 | 1 | 1.05 |
| David P. Landau | 3 | 1 | 0.71 |