Abstract: This paper discusses the design and implementation of drug discovery grid. The drug discovery grid (DDGrid) enables the sharing and aggregation of geographically distributed resources and provides huge computational capability for the drug design. Then, it emphasizes the analysis about the architecture and key technology of implementation of the DDGrid, and gives a particular description of the components of the DDGrid. Finally it conductes the system evaluation of the DDGrid, and analyzes the job scheduling.

Key words: Grid computing; Drug discovery; Job scheduling; Peer to peer computing

摘要： 讨论了药物发现网格(DDGrid)设计与实现，药物发现网格聚集和利用因特网上异构的地理位置不同的资源为药物设计提供了巨大计算能力。分析了药物发现网格体系结构和实现关键技术，以及对功能模块的描述，并通过实验对系统进行了测试以及任务调度分析。

关键词: 网格计算；药物发现；任务调度；对等计算