Generalized ensemble techniques and protein folding simulations
Document Type
Conference Proceeding
Publication Date
8-1-2002
Abstract
The thermodynamics of folding was studied for all-atom protein models employing generalized-ensemble approach. The generalized-ensemble techniques were well suited for the prediction of the native state of proteins. The experimental structure was determined by nuclear magnetic resonance (NMR) analysis. Generalized-ensemble method was able to find structures that were close to the experimentally determined structures even for large peptides such as HP-36.
Publication Title
Computer Physics Communications
Recommended Citation
Hansmann, U.
(2002).
Generalized ensemble techniques and protein folding simulations.
Computer Physics Communications,
147(1-2), 604-607.
http://doi.org/10.1016/S0010-4655(02)00331-4
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/7259