Amzel L M
Department of Biophysics and Biophysical Chemistry, Johns Hopkins School of Medicine, Baltimore, Maryland 21205, USA.
Proteins. 1997 Jun;28(2):144-9.
There is a loss of translational entropy associated with the formation of a complex between two molecules in solution. Estimation of this contribution is essential for understanding binding, protein-protein association, and catalysis. Based on the cell model of liquids, it is possible to estimate the loss of translational entropy in all these cases. The resulting formulas are straightforward, and the calculations are easy to perform. Comparison of the results with experimental data suggests that the proposed method provides estimates that are much more accurate than those obtained with existing methods.
溶液中两个分子形成复合物会导致平动熵的损失。估算这一贡献对于理解结合、蛋白质-蛋白质缔合及催化作用至关重要。基于液体的细胞模型,可以估算所有这些情况下的平动熵损失。所得公式简单明了,计算易于执行。将结果与实验数据进行比较表明,所提出的方法提供的估算值比现有方法获得的估算值准确得多。