Build Drug Discovery Grid Based On Web Services

Nowadays, with the in-depth research of distributed computing technology, Grid Computing and Web Services have been greatly developed.The conception of grid computing has changed from traditional high performance computing using discrete computing resources to constructing a platform for resources sharing and cooperative operations. The grid architecture has also shifted from protocol-oriented architecture to service-oriented one. On the other side, Web Services is a loosely-coupled system with a set of services to communicate with each other. The connection of services is based on the well-defined interfaces and protocols. These attributes of Web Services and Grid Computing provide a good opportunity to combine them.This dissertation is based on National 863 High Technology Project-Drug Discovery Grid. The dissertation introduces Web Services into grid architecture, designs Drug Discovery Grid (DDGrid) architecture based on Web Services, solves the problems in scalability and convention compatibility of orginal system, and enhances application integration and resource sharing of DDGrid.The main contributions of the thesis can be summarized as follows:The whole architecture has been divided into four layers according to the features of drug discovery. The Fabric Layer is composed of computing resources and data resources widely distributed throughout the Internet; The Service-Oriented Architecture Layer is fundamental to the grid system, which provides interfaces for accessing resources of the low layer; The Service-Oriented Tooling Layer aims to present a user-friendly view for the user; The Application Layer reveals application interface for grid users.In this thesis, two approaches are studied, which are aimed for running legacy code applications as Grid services. Some cutting-edge...