分子动力学模拟的可靠性和可重复性核对清单。
Reliability and reproducibility checklist for molecular dynamics simulations.
出版信息
Commun Biol. 2023 Mar 14;6(1):268. doi: 10.1038/s42003-023-04653-0.
Abstract
We present a checklist to improve the reliability and reproducibility of molecular dynamics simulations and related methods.
摘要
我们提出了一个清单，以提高分子动力学模拟和相关方法的可靠性和可重复性。
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