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Updated: Jun 3, 2025

Modeling the Functional Network for Spatial Navigation in the Human Brain
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Modeling the Functional Network for Spatial Navigation in the Human Brain

Published on: October 13, 2023

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一个基于神经网络的映射和优化框架,用于高精度粗粒度模拟

Zhixuan Zhong1,2, Lifeng Xu1,2, Jian Jiang1,2

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China.

Journal of chemical theory and computation
|January 9, 2025
PubMed
概括

我们开发了一个分子模拟 (AMOFMS) 的自动化框架,以简化粗粒度 (CG) 力场优化. 该工具使用神经网络进行精确的原子到CG映射,加速高精度分子模拟的开发.

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相关概念视频

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

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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