计算机模拟和X-射线实验研究蛋白质机械力学

Protein mechanics from simulations and X.Ray experiments

近年来，研究发现在动力学反应及其模拟中，机械力主要表现为一个生理刺激元素。机械力如血管中的剪切流或肌肉组织中的伸缩力，能够紧密地控制着基因表达或组织修复等生物过程，在生物体中起着非常重要的作用。而对于这样的力控制生物过程的原因仍然未知。本文通过应用结构生物学、生物物理实验以及计算机模拟来展示如何研究蛋白质动力学。它主要综述了三个特定的主题：丝蛋白纤维动力学模拟、血管中蛋白质的剪切诱导过程以及在力的作用下酶的反应。

Mechanical force recently manifests itself as a major physiological stimulus. How forces like shear flow in blood vessels or stretching forces in muscle tissue tightly control biological processes such as gene expression or tissue repair remains largely unknown. This review addresses how to study protein mechanics using state-of-the-art structural biology and biophysical experiments and complementary computer simulations. The review focuses on three specific topics, silk fiber mechanics, proteins in shear-induced processes in blood and enzymatic reactions under force.