摘要： 讨论了网格技术在药物研发领域的应用，药物研发不仅需要大量的计算资源，还需要一个信息交互集成的环境，使得研发过程各个方面的人员都能参与进来。介绍了药物研发的特征，着重分析了在网格环境下药物研发的操作模型，设计了网格的分层架构，并讨论了药物研发网格的实现，最后，通过在该网格环境下和传统的集群环境下进行的一组对比实验，对该网格平台进行了测试和分析。

关键词: 网格计算；虚拟筛选；药物研发

Abstract: This paper discusses the application of grid technology in the filed of drug discovery. Drug discovery needs not only a great number of computing resources but also an environment for information exchange and aggregation, so that experts of all aspects can join during the process. This article introduces the features of drug discovery, analyses the operational model of drug discovery in grid environment, designs a layered-architecture suitable for this application, and implements it. Finally, the grid platform is evaluated and analyzed, through a group of tests in both grid environment and traditional cluster environment.

Key words: Grid computing; Virtual screening; Drug discovery