球状蛋白质模型的体积涨落计算。
Calculation of volume fluctuation for globular protein models.
作者信息
Lee B
出版信息
Proc Natl Acad Sci U S A. 1983 Jan;80(2):622-6. doi: 10.1073/pnas.80.2.622.
Abstract
The extent of volume fluctuation is calculated for two simple geometrical models of globular protein molecules subjected to a potential that is proportional to the surface area freshly generated by the thermal breathing motion. The proportionality constant, gamma, has the unit of surface tension. The calculated values are compared with estimates made from the compressibility measurements. After an approximate correction for the hydration effect, the experimental values are found to be between those calculated by using gamma values of 25 and 46 cal/mol/A2 (1 cal = 4.184 J). These values bracket previously reported independent estimates of interfacial tension that presumably operates at the interface between a nonpolar molecule and water. This result appears to indicate that the solvent water plays a significant role in determining the extent of volume fluctuation of globular proteins and that the concept, and the actual value of the estimate, of the interfacial tension around a nonpolar molecule in water may, in fact, be useful in some applications.
摘要
针对球状蛋白质分子的两种简单几何模型，计算了其体积波动程度。这两种模型受到一种与热呼吸运动新产生的表面积成正比的势的作用。比例常数γ的单位为表面张力。将计算值与通过压缩性测量得到的估计值进行比较。在对水合作用进行近似校正后，发现实验值介于使用25和46 cal/mol/A²（1 cal = 4.184 J）的γ值计算得到的值之间。这些值包含了先前报道的关于非极性分子与水之间界面处可能存在的界面张力的独立估计值。这一结果似乎表明，溶剂水在决定球状蛋白质的体积波动程度方面起着重要作用，并且水中非极性分子周围界面张力的概念及其估计的实际值实际上可能在某些应用中是有用的。
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