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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:eLife
Egile Nagusiak: Gapsys, Vytautas, de Groot, Bert L
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: eLife Sciences Publications, Ltd 2020
Gaiak:
Sarrera elektronikoa: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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