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Updated: Sep 14, 2025

The Rigid Tube as an Alternative in Controlling the Problematic Airway
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一个集体变量来控制在灵活的有限体积的占用.

Konstantin Stracke1, Babak Farhadi Jahromi1, Guido H Clever2

  • 1Computational Materials Chemistry Group, Faculty of Chemistry and Biochemistry, Ruhr-Universität Bochum, 44801 Bochum, Germany.

Journal of chemical theory and computation
|July 18, 2025
PubMed
概括

研究人员在分子动力学模拟过程中开发了一种新的方法来控制和量化超分子结构内的溶剂分子. 这种方法增强了对灵活系统中宿主-客户复杂化的理解,有助于催化和分离应用.

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