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On the importance of statistics in molecular simulations for thermodynamics, kinetics and simulation box size

Computational simulations, akin to wetlab experimentation, are subject to statistical fluctuations. Assessing the magnitude of these fluctuations, that is, assigning uncertainties to the computed results, is of critical importance to drawing statistically reliable conclusions. Here, we use a simulat...

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書目詳細資料
發表在:eLife
Main Authors: Gapsys, Vytautas, de Groot, Bert L
格式: Artigo
語言:Inglês
出版: eLife Sciences Publications, Ltd 2020
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC7481008/
https://ncbi.nlm.nih.gov/pubmed/32812868
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.7554/eLife.57589
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