:

Esmat Mohammadi1,2, Justin A Lemkul2,3

  • 1Department of Chemical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States.

概括

这项研究使用了分子动力学模拟来比较CHARMM和德鲁德力场,用于模拟粉和纤维素生物聚合物. 德鲁德模拟显示,与CHARMM相比,粉糖具有更大的灵活性和动态电子极化.

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