High-Throughput Docking has emerged as a well establish method for identifying lead components in the process of searching for new drugs. The High-Throughput Docking Service provides researchers with the ability to do drug screening using tools usually reserved for large research centers. The service provides web-based access to large clusters of computers and extensive searchable molecular libraries. Along with this, it provides the tools necessary for Homology modeling, visualization and animation. In this paper we discuss the design and implementation of the High-Throughput Docking Service. In particular, we discuss the architectural design and its integration with Dock using XML and J2EE. Keywords Java, Database, Visualization, Web Services, Docking.
Joseph Gill, Legand L. Burge III, Zengjian Hu, Wil