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Efficient Sampling of Protein Structures by Model Hopping
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 meth...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1356668/ https://ncbi.nlm.nih.gov/pubmed/16197184 |
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