Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 182, Issue 9, Pages 1896-1899Publisher
ELSEVIER
DOI: 10.1016/j.cpc.2010.12.049
Keywords
Protein folding; HP model; Wang-Landau sampling; Heteropolymers; Adsorption
Funding
- NSF [DMR-0810223]
- NIH [IR01GM075331]
Ask authors/readers for more resources
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. (C) 2011 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available