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Updated: Jul 25, 2025

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基于变量自编码器的高效路径分类算法,用于识别复杂的规格变化的元稳定路径通道

Yunrui Qiu1, Michael S O'Connor2, Mingyi Xue1

  • 1Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.

Journal of chemical theory and computation
|June 29, 2023
PubMed
概括

隐形空间路径聚类 (LPC) 通过将众多动态路径分组成不同的通道来简化复杂的分子动态. 这种方法增强了对生物和化学过程中的形状变化的理解.

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