Efficient Sampling of Protein Structures by Model Hopping
- 22 September 2005
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 95 (13), 138102
- https://doi.org/10.1103/PhysRevLett.95.138102
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.Keywords
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