Shakhnovich E I
Department of Chemistry, Harvard University, Cambridge, MA 02138, USA.
Fold Des. 1996;1(3):R50-4. doi: 10.1016/s1359-0278(96)00027-2.
It is argued that simplified models capture key features of protein stability and folding, whereas more detailed models may be more appropriate for protein structure prediction. A brief overview of experimental and theoretical results is presented that corroborates these points. I argue that statistical models capture the key principle of protein stability-cooperativity- and therefore provide a reasonable estimate of protein free energy whereas more detailed but less physically transparent calculations fail to do so. I also explain that the previously published claim that simple models give predictions that are inconsistent with experiments on polypeptide block-copolymers is based on incomplete analysis of such experiment.
有人认为，简化模型能够捕捉蛋白质稳定性和折叠的关键特征，而更详细的模型可能更适合蛋白质结构预测。本文简要概述了实验和理论结果，证实了这些观点。我认为统计模型抓住了蛋白质稳定性——协同性——的关键原则，因此能够合理估计蛋白质自由能，而更详细但物理透明度较低的计算则无法做到这一点。我还解释说，此前发表的关于简单模型给出的预测与多肽嵌段共聚物实验结果不一致的说法，是基于对此类实验的不完整分析。
