Chembiochem. 2014 Mar 21;15(5):643-6. doi: 10.1002/cbic.201300557.
Using free-energy simulations, we have shown that RevErbα-induced DNA deformation preferentially occurs by induced fit rather than by conformational selection, even though the DNA is only slightly distorted in the complex. Our study shows that information on the sequence of binding events is needed to establish whether conformational selection or induced fit is operative, and that the presence of multiple apo-state structures might not be enough to distinguish between these binding models
通过自由能模拟，我们表明 RevErbα 诱导的 DNA 变形主要通过诱导契合发生，而不是构象选择，尽管在复合物中 DNA 只有轻微的扭曲。我们的研究表明，需要关于结合事件序列的信息来确定构象选择还是诱导契合起作用，并且存在多个无配体状态结构可能不足以区分这些结合模型。
