结果证实，其关系符合线性自由能关系式。
The results indicated that the correlation relation coincides with the linear free energy relationship (LFER).
本文阐述了线性自由能原理，评述了几种重要的线性自由能关系，简述了该原理在有机化学研究中的广泛应用。
This paper expounded a linear free energy relationship, made comments on important linear free energy relationships, and discussed briefly its wide applications in organic chemistry study.
然而，过去的研究和模拟表明，烷烃的水化自由能并不符合预计的线性变化趋势。
Previous experiments and simulations, however, indicated that the free energy of hydration did not match this predicted linear trend.
用基于线性响应近似的自由能预测方法计算胰蛋白酶和苯酰氨类抑制剂的结合自由能。
Binding affinities of a series of benzamide inhibitors for trypsin were evaluated by molecular dynamics (MD) simulations using a linear response approach.
本文采用基于线性响应近似的自由能预测方法计算了胰蛋白酶和苯酰氨类抑制剂的结合自由能。
The binding affinities of a series of benzamide inhibitors with trypsin were evaluated by molecular dynamics (MD) simulations with a linear response approach.
本文采用基于线性响应近似的自由能预测方法计算了胰蛋白酶和苯酰氨类抑制剂的结合自由能。
The binding affinities of a series of benzamide inhibitors with trypsin were evaluated by molecular dynamics (MD) simulations with a linear response approach.
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