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On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method
An issue of general interest in computer simulations is to incorporate information from experiments into a structural model. An important caveat in pursuing this goal is to avoid corrupting the resulting model with spurious and arbitrary biases. While the problem of biasing thermodynamic ensembles c...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3598863/ https://ncbi.nlm.nih.gov/pubmed/23464140 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4792208 |
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