在马蒂尼3力场内,水性介质中的库库比图里尔的粗粒度表示

Daniel G Angelescu1, Alexandru G Bucur1, Gabriela Ionita1

  • 1Romanian Academy, "Ilie Murgulescu" Institute of Physical Chemistry, Splaiul Independentei 202, 060021 Bucharest, Romania.

PubMed
概括

库库比特[n]urils (CB[n]s) 的新粗粒模型准确地模拟了宿主-客人复杂化. 这些与Martini 3力场兼容的模型对纳米技术和材料科学应用具有前景.

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