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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Roux, Benoît, Weare, Jonathan
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Institute of Physics 2013
Pynciau:
Mynediad Ar-lein: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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