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Updated: Jul 21, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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从分子模拟中预测一种强溶性溶液的水溶性

James Carruthers1, Mauro Ferrario2, Jamshed Anwar1

  • 1Department of Chemistry, Lancaster University, Lancaster LA1 4YB, United Kingdom.

The Journal of chemical physics
|July 28, 2023
PubMed
概括

分子模拟使用化学潜能计算和直接共存模拟来预测尿素的水溶性. 这两种方法的结果都明显低于实验值,突出了准确建模溶解度的挑战.

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