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Updated: Jul 18, 2025

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对实验的定量比较揭示了力场对POPC-胆固醇相互作用的描述中存在的缺陷

Matti Javanainen1,2, Peter Heftberger3, Jesper J Madsen4,5,6

  • 1Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 16000 Prague 6, Czech Republic.

Journal of chemical theory and computation
|August 24, 2023
PubMed
概括

分子动力学模拟揭示了模拟胆固醇-脂质相互作用的力场局限性. 滑动体力场显示了模拟生物膜结构和动态的最佳整体性能.

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