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A Second Look at Canonical Sampling of Biomolecules using Replica Exchange Simulation
The replica exchange approach, also called parallel tempering, is gaining popularity for biomolecular simulation. We ask whether the approach is likely to be efficient compared to standard simulation methods for fixed-temperature equilibrium sampling. To examine the issue, we make a number of straig...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2586297/ https://ncbi.nlm.nih.gov/pubmed/19043602 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct0600464 |
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