Pharma Prototype
BRIDGE Pharma has formalized the scientific application scenario and evaluated the scientific data and results via deploying an integrated platform for Grid-based composition of Virtual Screening tools with the four docking tools (FlexX, AutoDock, DOCK and GasDock) are integrated. In the next step an interoperable EU-China Grid-based Workflow Infrastructure for Virtual Screening was developed.
- Architecture of the final Pharma Prototype
The pharmaceutical application scenario is a distributed docking workflow involving docking tools from Chinese and European partners aiming at an improved result by combining results of several docking tools for the same targets. Two tools FlexX and AutoDock are deployed in Germany at the Fraunhofer Institute as Grid services, using GRIA middleware, and two tools DOCK and GAsDock are deployed in China at the Shanghai Institute for Materia Medica as GOS services, using CNGrid middleware. The execution of the tools is coordinated using InforSense KDE tools from remote locations.