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中文摘要：
基于消息传递接口（Message Passing Interface，MPI），用两种不同的并行程序设计方法对Autodock程序进行修改．将修改后的程序应用于HIV-1蛋白酶（Protease）和小分子抑制剂XK263的对接体系，测试了并行程序的加速比和并行效率．结果表明，两种改进的并行Autodock程序都可以很好地完成计算，尤其是方案Ⅱ并行程序的加速比和并行效率更高．
英文摘要：
Based on message passing interface （MPI）, Autodock code is modified by two parallel methods and applied to dock small molecules XK263 to target HIV-1 protease .The acceleration rate and parallel efficiency are tested with different number of nodes. The improved Autodock codes show a satisfied performance during docking process. Particularly, Scheme Ⅱ has advantages in acceleration rate and parallel efficiency.
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