McCammon J A, Gelin B R, Karplus M
Nature. 1977 Jun 16;267(5612):585-90. doi: 10.1038/267585a0.
The dynamics of a folded globular protein (bovine pancreatic trypsin inhibitor) have been studied by solving the equations of motion for the atoms with an empirical potential energy function. The results provide the magnitude, correlations and decay of fluctuations about the average structure. These suggest that the protein interior is fluid-like in that the local atom motions have a diffusional character.
通过使用经验势能函数求解原子的运动方程，研究了一种折叠球状蛋白质（牛胰蛋白酶抑制剂）的动力学。结果给出了围绕平均结构的涨落的大小、相关性和衰减情况。这些结果表明，蛋白质内部呈类流体状，因为局部原子运动具有扩散特征。
