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Rapid equilibrium sampling initiated from nonequilibrium data
Simulating the conformational dynamics of biomolecules is extremely difficult due to the rugged nature of their free energy landscapes and multiple long-lived, or metastable, states. Generalized ensemble (GE) algorithms, which have become popular in recent years, attempt to facilitate crossing betwe...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2785240/ https://ncbi.nlm.nih.gov/pubmed/19805023 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0909088106 |
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