Docking simulation, which is one of in-Silico screening methods, has an important role in the process of drug discovery. The docking simulation is applied to narrow compounds in database down to a few compounds that can become candidates of drugs. However, the docking simulation has too many difficult factors. Scientists have to coordinate whole parameter sets in trial and error processes. Sequences of the processes are interrupted by checking a coordinates of the compound on protein. In addition to that, it is difficult for inexperienced scientists to make up the sequencing processes, because building the processes requires much technical knowledge of docking simulation. In this paper, we describe a design and a development of workflow schema for in-Silico screening. This workflow schema promises to share technical knowledge, and to achieve more throughput by reducing interruptions of workflows.
