Efficient sampling of protein structures by model hopping
Document Type
Article
Publication Date
9-23-2005
Abstract
We introduce a novel simulation method, model hopping, that enhances sampling of low-energy configurations in complex systems. The approach is illustrated for a protein-folding problem. Thermodynamic quantities of proteins with up to 46 residues are evaluated from all-atom simulations with this method. © 2005 The American Physical Society.
Publication Title
Physical Review Letters
Recommended Citation
Kwak, W.,
&
Hansmann, U.
(2005).
Efficient sampling of protein structures by model hopping.
Physical Review Letters,
95(13).
http://doi.org/10.1103/PhysRevLett.95.138102
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10110