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Replica exchange with solute tempering: A method for sampling biological systems in explicit water
An innovative replica exchange (parallel tempering) method called replica exchange with solute tempering (REST) for the efficient sampling of aqueous protein solutions is presented here. The method bypasses the poor scaling with system size of standard replica exchange and thus reduces the number of...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2005
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1236566/ https://ncbi.nlm.nih.gov/pubmed/16172406 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0506346102 |
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