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Updated: Jan 18, 2026

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基于图形神经网络的粗粒度脂质力场的开发.

Zhenyu Liao1, Ting Si1,2, Tairan Wang1

  • 1Department of Materials Science and Engineering, City University of Hong Kong, Kowloon 999077, Hong Kong China.

Journal of chemical theory and computation
|September 10, 2025
PubMed
概括

图形神经网络创建准确的粗粒度 (CG) 脂质模型,以实现更快的膜模拟. 这些模型显著加快了脂质动态,并显示出大规模膜研究的前景.

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