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Updated: Jul 28, 2025

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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低分辨率粗粒度自由能量潜力的层次机器学习

Sergei Izvekov1, Betsy M Rice1

  • 1U.S. Army DEVCOM Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, United States.

Journal of chemical theory and computation
|May 31, 2023
PubMed
概括

本研究介绍了一种机器学习方法,用于创建粗粒度模型,探索聚类如何影响自由能源潜力. 这种方法可以有效地构建层次模型,而不会损失精度或增加计算成本.

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