Chien Andrew, Foster Ian, Goddette Dean
Entropia, 10145 Pacific Heights Suite 800, San Diego, CA 92121, USA.
Drug Discov Today. 2002 Oct 15;7(20 Suppl):S176-80. doi: 10.1016/s1359-6446(02)02369-3.
Grid technologies enable flexible coupling and sharing of computers, instruments and storage. Grids can provide technical solutions to the volume of data and computational demands associated with drug discovery by delivering larger computing capability (flexible resource sharing), providing coordinated access to large data resources and enabling novel online exploration (coupling computing, data and instruments online). Here, we illustrate this potential by describing two applications: the use of desktop PC grid technologies for virtual screening, and distributed X-ray structure reconstruction and online visualization.
网格技术能够实现计算机、仪器和存储的灵活耦合与共享。通过提供更大的计算能力（灵活的资源共享）、实现对大型数据资源的协同访问以及支持新型在线探索（在线耦合计算、数据和仪器），网格可以为与药物发现相关的数据量和计算需求提供技术解决方案。在此，我们通过描述两个应用来阐述这种潜力：使用桌面PC网格技术进行虚拟筛选，以及分布式X射线结构重建和在线可视化。
