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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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eLife Sciences Publications, Ltd
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7481008/ https://www.ncbi.nlm.nih.gov/pubmed/32812868 http://dx.doi.org/10.7554/eLife.57589 |