The improved docking simulations were performed on the whole proteins and the results were recollected on different surfaces which were calculated by use of different roll ball sizes.

以目标蛋白质整体为研究对象，采用不同大小的滚球分子计算生成不同的蛋白质表面，分析在不同表面上的对接结果与配基吸附容量间的相关性。