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在同质溶解理论计算中,MPI-平行化网格

Daniel R Roe1, Bernard R Brooks1

  • 1Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland, USA.

Journal of computational chemistry
|December 10, 2023
PubMed
概括

网格不均溶解理论 (GIST) 方法的速度通过与MPI并行计算来提高. 这种方法有效地加速了分子动力学模拟的溶解能量和计算.

关键词:
这就是GIST GIST.分子动力学分子动力学进行并行分析分析.运行轨迹分析的方法

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Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
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