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Updated: May 30, 2025

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实证分子力学力场对胆固醇凝结效应的模拟有多好?

J Sawdon1, T J Piggot1,2, J W Essex1

  • 1School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.

The Journal of chemical physics
|January 28, 2025
PubMed
概括

对含胆固醇膜的精确分子动力学模拟需要捕捉胆固醇凝结效应. 对于精确的模拟,建议使用全原子力场,如CHARMM36或Slipids,因为单原子和粗粒模型预测不到这个关键现象.

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