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Weighted Ensemble Simulation: Review of Methodology, Applications, and Software
The weighted ensemble (WE) methodology orchestrates quasi-independent parallel simulations run with intermittent communication that can enhance sampling of rare events such as protein conformational changes, folding, and binding. The WE strategy can achieve superlinear scaling—the unbiased estimatio...
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| Publicado no: | Annu Rev Biophys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5896317/ https://ncbi.nlm.nih.gov/pubmed/28301772 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1146/annurev-biophys-070816-033834 |
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