autodock
- 网络分子对接软件;分子对接;对接程序;自由能的经验计算方法
autodock-
Firstly , different substituted chalcone compounds performed molecular docking simulation with tubulin protein molecular by the means of Autodock software . Then we can get the combination energy and inhibition constant , and analysis the molecular mechanism of interaction based on their interaction force docking conformation .
首先借助于Autodock软件将不同取代的查尔酮化合物与tubulin蛋白分子进行模拟对接，得到对接的结合能以及抑制常数，并根据相互作用力和对接构象分析两者相互作用的分子机制。