Minimum model for the alpha-helix-beta-hairpin transition in proteins |
| |
Authors: | Imamura Hideo Chen Jeff Z Y |
| |
Institution: | Department of Physics, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1. |
| |
Abstract: | We present a minimal model for proteins, which is able to capture the structural conversion between the alpha-helix and beta-hairpin. In most regimes of the parameter space, the model produces a stable structure at a low temperature; in a few limited regimes of the parameter space, the model displays an beta-hairpin transition as the physical conditions vary. These variations include a perturbation on hydrogen bonding propensity at the middle of the modeled chain, or the change of the hydrophobicity of a designated pair along the chain. Using Monte Carlo simulations, we demonstrate the structural conversion by means of state diagrams, heat capacity maps, and free energy maps. |
| |
Keywords: | Protein model Monte Carlo simulation α‐helix to β‐sheet transition |
本文献已被 PubMed 等数据库收录! |
|